2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C253H296F3N81O13S18 — CID 165086243

IUPAC2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2sc(N3CC(N(C)C(N)=O)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC(N(C)CC(=O)N4CC(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC4(CCCN(C(N)=O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC4(CCCN(CC(=O)N5CC(O)C5)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(C)(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(F)(F)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(F)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CCC(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CCC4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C30H35N9O2S2.2C30H37N9O2S2.C29H33F2N9OS2.C29H34FN9OS2.C29H35N9OS2.C27H31N9O2S2.C26H29N9OS2.C23H25N9OS2/c1-4-22-26(35(3)27-33-25(23(12-31)42-27)20-8-6-19(2)7-9-20)39-28(32-22)43-29(34-39)38-17-30(18-38)10-5-11-36(16-30)15-24(41)37-13-21(40)14-37;1-6-22-26(36(5)27-33-25(23(14-31)42-27)20-11-9-19(2)10-12-20)39-28(32-22)43-29(34-39)37-13-7-8-21(15-37)35(4)16-24(40)38-17-30(3,41)18-38;1-5-23-27(36(4)28-33-26(24(15-31)42-28)20-10-8-19(2)9-11-20)39-29(32-23)43-30(34-39)38-13-6-7-21(16-38)35(3)18-25(41)37-14-12-22(40)17-37;1-5-21-25(37(4)26-34-24(22(13-32)42-26)19-10-8-18(2)9-11-19)40-27(33-21)43-28(35-40)38-12-6-7-20(14-38)36(3)15-23(41)39-16-29(30,31)17-39;1-5-22-26(36(4)27-33-25(23(13-31)41-27)19-10-8-18(2)9-11-19)39-28(32-22)42-29(34-39)37-12-6-7-21(16-37)35(3)17-24(40)38-14-20(30)15-38;1-5-22-26(35(4)27-32-25(23(16-30)40-27)20-11-9-19(2)10-12-20)38-28(31-22)41-29(33-38)37-13-6-8-21(17-37)34(3)18-24(39)36-14-7-15-36;1-5-20-24(33(4)25-30-23(21(10-28)39-25)17-8-6-16(2)7-9-17)36-26(29-20)40-27(31-36)35-11-18(12-35)32(3)15-22(38)34-13-19(37)14-34;1-4-18-21(32(3)23-30-20(19(12-27)37-23)17-8-6-16(2)7-9-17)35-24(29-18)38-25(31-35)34-14-26(15-34)10-5-11-33(13-26)22(28)36;1-5-16-19(30(4)21-27-18(17(10-24)34-21)14-8-6-13(2)7-9-14)32-22(26-16)35-23(28-32)31-11-15(12-31)29(3)20(25)33/h6-9,21,40H,4-5,10-11,13-18H2,1-3H3;9-12,21,41H,6-8,13,15-18H2,1-5H3;8-11,21-22,40H,5-7,12-14,16-18H2,1-4H3;8-11,20H,5-7,12,14-17H2,1-4H3;8-11,20-21H,5-7,12,14-17H2,1-4H3;9-12,21H,5-8,13-15,17-18H2,1-4H3;6-9,18-19,37H,5,11-15H2,1-4H3;6-9H,4-5,10-11,13-15H2,1-3H3,(H2,28,36);6-9,15H,5,11-12H2,1-4H3,(H2,25,33)
InChIKeyVYLNDXVVGXBASM-UHFFFAOYSA-N
MW5313.91 g/mol
LogP36.01
Rot. Bonds66

About 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 165086243) has the molecular formula C253H296F3N81O13S18 and a molecular weight of 5313.91 g/mol. Its IUPAC name is 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID165086243
Molecular FormulaC253H296F3N81O13S18
Molecular Weight5313.91 g/mol
Exact Mass5308.99
IUPAC Name2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2sc(N3CC(N(C)C(N)=O)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC(N(C)CC(=O)N4CC(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC4(CCCN(C(N)=O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC4(CCCN(CC(=O)N5CC(O)C5)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(C)(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(F)(F)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(F)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CCC(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CCC4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C30H35N9O2S2.2C30H37N9O2S2.C29H33F2N9OS2.C29H34FN9OS2.C29H35N9OS2.C27H31N9O2S2.C26H29N9OS2.C23H25N9OS2/c1-4-22-26(35(3)27-33-25(23(12-31)42-27)20-8-6-19(2)7-9-20)39-28(32-22)43-29(34-39)38-17-30(18-38)10-5-11-36(16-30)15-24(41)37-13-21(40)14-37;1-6-22-26(36(5)27-33-25(23(14-31)42-27)20-11-9-19(2)10-12-20)39-28(32-22)43-29(34-39)37-13-7-8-21(15-37)35(4)16-24(40)38-17-30(3,41)18-38;1-5-23-27(36(4)28-33-26(24(15-31)42-28)20-10-8-19(2)9-11-20)39-29(32-23)43-30(34-39)38-13-6-7-21(16-38)35(3)18-25(41)37-14-12-22(40)17-37;1-5-21-25(37(4)26-34-24(22(13-32)42-26)19-10-8-18(2)9-11-19)40-27(33-21)43-28(35-40)38-12-6-7-20(14-38)36(3)15-23(41)39-16-29(30,31)17-39;1-5-22-26(36(4)27-33-25(23(13-31)41-27)19-10-8-18(2)9-11-19)39-28(32-22)42-29(34-39)37-12-6-7-21(16-37)35(3)17-24(40)38-14-20(30)15-38;1-5-22-26(35(4)27-32-25(23(16-30)40-27)20-11-9-19(2)10-12-20)38-28(31-22)41-29(33-38)37-13-6-8-21(17-37)34(3)18-24(39)36-14-7-15-36;1-5-20-24(33(4)25-30-23(21(10-28)39-25)17-8-6-16(2)7-9-17)36-26(29-20)40-27(31-36)35-11-18(12-35)32(3)15-22(38)34-13-19(37)14-34;1-4-18-21(32(3)23-30-20(19(12-27)37-23)17-8-6-16(2)7-9-17)35-24(29-18)38-25(31-35)34-14-26(15-34)10-5-11-33(13-26)22(28)36;1-5-16-19(30(4)21-27-18(17(10-24)34-21)14-8-6-13(2)7-9-14)32-22(26-16)35-23(28-32)31-11-15(12-31)29(3)20(25)33/h6-9,21,40H,4-5,10-11,13-18H2,1-3H3;9-12,21,41H,6-8,13,15-18H2,1-5H3;8-11,21-22,40H,5-7,12-14,16-18H2,1-4H3;8-11,20H,5-7,12,14-17H2,1-4H3;8-11,20-21H,5-7,12,14-17H2,1-4H3;9-12,21H,5-8,13-15,17-18H2,1-4H3;6-9,18-19,37H,5,11-15H2,1-4H3;6-9H,4-5,10-11,13-15H2,1-3H3,(H2,28,36);6-9,15H,5,11-12H2,1-4H3,(H2,25,33)
InChIKeyVYLNDXVVGXBASM-UHFFFAOYSA-N
XLogP36.01
TPSA998.58 Ų
H-Bond Donors6
H-Bond Acceptors101
Rotatable Bonds66
Heavy Atoms368
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005313.91
LogP ≤ 536.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 10101

Analyze 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 165086243) is 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2sc(N3CC(N(C)C(N)=O)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC(N(C)CC(=O)N4CC(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC4(CCCN(C(N)=O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CC4(CCCN(CC(=O)N5CC(O)C5)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(C)(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(F)(F)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CC(F)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CCC(O)C4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2sc(N3CCCC(N(C)CC(=O)N4CCC4)C3)nn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is VYLNDXVVGXBASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N9O2S2.2C30H37N9O2S2.C29H33F2N9OS2.C29H34FN9OS2.C29H35N9OS2.C27H31N9O2S2.C26H29N9OS2.C23H25N9OS2/c1-4-22-26(35(3)27-33-25(23(12-31)42-27)20-8-6-19(2)7-9-20)39-28(32-22)43-29(34-39)38-17-30(18-38)10-5-11-36(16-30)15-24(41)37-13-21(40)14-37;1-6-22-26(36(5)27-33-25(23(14-31)42-27)20-11-9-19(2)10-12-20)39-28(32-22)43-29(34-39)37-13-7-8-21(15-37)35(4)16-24(40)38-17-30(3,41)18-38;1-5-23-27(36(4)28-33-26(24(15-31)42-28)20-10-8-19(2)9-11-20)39-29(32-23)43-30(34-39)38-13-6-7-21(16-38)35(3)18-25(41)37-14-12-22(40)17-37;1-5-21-25(37(4)26-34-24(22(13-32)42-26)19-10-8-18(2)9-11-19)40-27(33-21)43-28(35-40)38-12-6-7-20(14-38)36(3)15-23(41)39-16-29(30,31)17-39;1-5-22-26(36(4)27-33-25(23(13-31)41-27)19-10-8-18(2)9-11-19)39-28(32-22)42-29(34-39)37-12-6-7-21(16-37)35(3)17-24(40)38-14-20(30)15-38;1-5-22-26(35(4)27-32-25(23(16-30)40-27)20-11-9-19(2)10-12-20)38-28(31-22)41-29(33-38)37-13-6-8-21(17-37)34(3)18-24(39)36-14-7-15-36;1-5-20-24(33(4)25-30-23(21(10-28)39-25)17-8-6-16(2)7-9-17)36-26(29-20)40-27(31-36)35-11-18(12-35)32(3)15-22(38)34-13-19(37)14-34;1-4-18-21(32(3)23-30-20(19(12-27)37-23)17-8-6-16(2)7-9-17)35-24(29-18)38-25(31-35)34-14-26(15-34)10-5-11-33(13-26)22(28)36;1-5-16-19(30(4)21-27-18(17(10-24)34-21)14-8-6-13(2)7-9-14)32-22(26-16)35-23(28-32)31-11-15(12-31)29(3)20(25)33/h6-9,21,40H,4-5,10-11,13-18H2,1-3H3;9-12,21,41H,6-8,13,15-18H2,1-5H3;8-11,21-22,40H,5-7,12-14,16-18H2,1-4H3;8-11,20H,5-7,12,14-17H2,1-4H3;8-11,20-21H,5-7,12,14-17H2,1-4H3;9-12,21H,5-8,13-15,17-18H2,1-4H3;6-9,18-19,37H,5,11-15H2,1-4H3;6-9H,4-5,10-11,13-15H2,1-3H3,(H2,28,36);6-9,15H,5,11-12H2,1-4H3,(H2,25,33).
What are the key properties of 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 5313.91 g/mol, XLogP of 36.01, 66 rotatable bonds, 6 hydrogen bond donors, and 101 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[1-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]azetidin-3-yl]-1-methylurea;2-[5-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2,8-diazaspiro[3.5]nonane-8-carboxamide;2-[[2-[3-[[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[8-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,8-diazaspiro[3.5]nonan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-methylamino]azetidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-ethyl-2-[3-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-methylamino]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 165086243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).