N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

C216H267N47O22S8 — CID 164993113

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4(CN(C)C)COC4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CC5CCC(C4)N5C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CN(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CN(C)CCO4)nc3c2)cnc1N.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4(CN(C)C)COC4)nc3c2)cc1C(N)=O.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCOC4)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CN(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N4CCN(C)CC4)nc3c2)cnc1N
InChIInChI=1S/C30H38N6O2S.C28H34N6O5S.C28H36N6O3S.C27H34N6O3S.C26H33N7O2S.C26H32N6O2S.C26H31N5O2S.C25H29N5O3S/c1-4-18-11-21(15-32-27(18)31)33-28(37)30(38)36-16-17(2)5-9-25(36)19-6-10-26-24(14-19)34-29(39-26)20-12-22-7-8-23(13-20)35(22)3;1-16-5-7-21(17-6-8-22-20(9-17)32-27(40-22)28(13-33(2)3)14-39-15-28)34(12-16)26(37)24(36)31-18-10-19(23(29)35)25(38-4)30-11-18;1-5-18-10-20(12-30-24(18)29)31-25(35)26(36)34-13-17(2)6-8-22(34)19-7-9-23-21(11-19)32-27(38-23)28(14-33(3)4)15-37-16-28;1-4-17-11-19(13-29-24(17)28)30-25(34)27(35)33-14-16(2)5-7-21(33)18-6-8-23-20(12-18)31-26(37-23)22-15-32(3)9-10-36-22;1-16-4-6-21(33(15-16)25(35)24(34)29-19-12-17(2)23(27)28-14-19)18-5-7-22-20(13-18)30-26(36-22)32-10-8-31(3)9-11-32;1-4-16-9-19(11-28-23(16)27)29-24(33)26(34)32-12-15(2)5-7-21(32)17-6-8-22-20(10-17)30-25(35-22)18-13-31(3)14-18;1-15-5-7-22(18-6-8-23-21(10-18)29-25(34-23)19-13-30(4)14-19)31(12-15)26(33)24(32)28-20-9-16(2)17(3)27-11-20;1-14-3-5-20(16-4-6-21-19(10-16)29-24(34-21)17-7-8-33-13-17)30(12-14)25(32)23(31)28-18-9-15(2)22(26)27-11-18/h6,10-11,14-15,17,20,22-23,25H,4-5,7-9,12-13,16H2,1-3H3,(H2,31,32)(H,33,37);6,8-11,16,21H,5,7,12-15H2,1-4H3,(H2,29,35)(H,31,36);7,9-12,17,22H,5-6,8,13-16H2,1-4H3,(H2,29,30)(H,31,35);6,8,11-13,16,21-22H,4-5,7,9-10,14-15H2,1-3H3,(H2,28,29)(H,30,34);5,7,12-14,16,21H,4,6,8-11,15H2,1-3H3,(H2,27,28)(H,29,34);6,8-11,15,18,21H,4-5,7,12-14H2,1-3H3,(H2,27,28)(H,29,33);6,8-11,15,19,22H,5,7,12-14H2,1-4H3,(H,28,32);4,6,9-11,14,17,20H,3,5,7-8,12-13H2,1-2H3,(H2,26,27)(H,28,31)/t17-,20?,22?,23?,25+;16-,21+;17-,22+;16-,21+,22-;16-,21+;15-,21+;15-,22+;14-,17?,20+/m00000000/s1
InChIKeyHDNNOKLEJMOSMQ-WZOPTAPHSA-N
MW4130.35 g/mol
LogP30.44
Rot. Bonds34

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 164993113) has the molecular formula C216H267N47O22S8 and a molecular weight of 4130.35 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
PubChem CID164993113
Molecular FormulaC216H267N47O22S8
Molecular Weight4130.35 g/mol
Exact Mass4126.90
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4(CN(C)C)COC4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CC5CCC(C4)N5C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CN(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CN(C)CCO4)nc3c2)cnc1N.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4(CN(C)C)COC4)nc3c2)cc1C(N)=O.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCOC4)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CN(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N4CCN(C)CC4)nc3c2)cnc1N
InChIInChI=1S/C30H38N6O2S.C28H34N6O5S.C28H36N6O3S.C27H34N6O3S.C26H33N7O2S.C26H32N6O2S.C26H31N5O2S.C25H29N5O3S/c1-4-18-11-21(15-32-27(18)31)33-28(37)30(38)36-16-17(2)5-9-25(36)19-6-10-26-24(14-19)34-29(39-26)20-12-22-7-8-23(13-20)35(22)3;1-16-5-7-21(17-6-8-22-20(9-17)32-27(40-22)28(13-33(2)3)14-39-15-28)34(12-16)26(37)24(36)31-18-10-19(23(29)35)25(38-4)30-11-18;1-5-18-10-20(12-30-24(18)29)31-25(35)26(36)34-13-17(2)6-8-22(34)19-7-9-23-21(11-19)32-27(38-23)28(14-33(3)4)15-37-16-28;1-4-17-11-19(13-29-24(17)28)30-25(34)27(35)33-14-16(2)5-7-21(33)18-6-8-23-20(12-18)31-26(37-23)22-15-32(3)9-10-36-22;1-16-4-6-21(33(15-16)25(35)24(34)29-19-12-17(2)23(27)28-14-19)18-5-7-22-20(13-18)30-26(36-22)32-10-8-31(3)9-11-32;1-4-16-9-19(11-28-23(16)27)29-24(33)26(34)32-12-15(2)5-7-21(32)17-6-8-22-20(10-17)30-25(35-22)18-13-31(3)14-18;1-15-5-7-22(18-6-8-23-21(10-18)29-25(34-23)19-13-30(4)14-19)31(12-15)26(33)24(32)28-20-9-16(2)17(3)27-11-20;1-14-3-5-20(16-4-6-21-19(10-16)29-24(34-21)17-7-8-33-13-17)30(12-14)25(32)23(31)28-18-9-15(2)22(26)27-11-18/h6,10-11,14-15,17,20,22-23,25H,4-5,7-9,12-13,16H2,1-3H3,(H2,31,32)(H,33,37);6,8-11,16,21H,5,7,12-15H2,1-4H3,(H2,29,35)(H,31,36);7,9-12,17,22H,5-6,8,13-16H2,1-4H3,(H2,29,30)(H,31,35);6,8,11-13,16,21-22H,4-5,7,9-10,14-15H2,1-3H3,(H2,28,29)(H,30,34);5,7,12-14,16,21H,4,6,8-11,15H2,1-3H3,(H2,27,28)(H,29,34);6,8-11,15,18,21H,4-5,7,12-14H2,1-3H3,(H2,27,28)(H,29,33);6,8-11,15,19,22H,5,7,12-14H2,1-4H3,(H,28,32);4,6,9-11,14,17,20H,3,5,7-8,12-13H2,1-2H3,(H2,26,27)(H,28,31)/t17-,20?,22?,23?,25+;16-,21+;17-,22+;16-,21+,22-;16-,21+;15-,21+;15-,22+;14-,17?,20+/m00000000/s1
InChIKeyHDNNOKLEJMOSMQ-WZOPTAPHSA-N
XLogP30.44
TPSA872.80 Ų
H-Bond Donors15
H-Bond Acceptors60
Rotatable Bonds34
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004130.35
LogP ≤ 530.44
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1060

Analyze N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (CID 164993113) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4(CN(C)C)COC4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CC5CCC(C4)N5C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CN(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CN(C)CCO4)nc3c2)cnc1N.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4(CN(C)C)COC4)nc3c2)cc1C(N)=O.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCOC4)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CN(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N4CCN(C)CC4)nc3c2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is HDNNOKLEJMOSMQ-WZOPTAPHSA-N. The full InChI is InChI=1S/C30H38N6O2S.C28H34N6O5S.C28H36N6O3S.C27H34N6O3S.C26H33N7O2S.C26H32N6O2S.C26H31N5O2S.C25H29N5O3S/c1-4-18-11-21(15-32-27(18)31)33-28(37)30(38)36-16-17(2)5-9-25(36)19-6-10-26-24(14-19)34-29(39-26)20-12-22-7-8-23(13-20)35(22)3;1-16-5-7-21(17-6-8-22-20(9-17)32-27(40-22)28(13-33(2)3)14-39-15-28)34(12-16)26(37)24(36)31-18-10-19(23(29)35)25(38-4)30-11-18;1-5-18-10-20(12-30-24(18)29)31-25(35)26(36)34-13-17(2)6-8-22(34)19-7-9-23-21(11-19)32-27(38-23)28(14-33(3)4)15-37-16-28;1-4-17-11-19(13-29-24(17)28)30-25(34)27(35)33-14-16(2)5-7-21(33)18-6-8-23-20(12-18)31-26(37-23)22-15-32(3)9-10-36-22;1-16-4-6-21(33(15-16)25(35)24(34)29-19-12-17(2)23(27)28-14-19)18-5-7-22-20(13-18)30-26(36-22)32-10-8-31(3)9-11-32;1-4-16-9-19(11-28-23(16)27)29-24(33)26(34)32-12-15(2)5-7-21(32)17-6-8-22-20(10-17)30-25(35-22)18-13-31(3)14-18;1-15-5-7-22(18-6-8-23-21(10-18)29-25(34-23)19-13-30(4)14-19)31(12-15)26(33)24(32)28-20-9-16(2)17(3)27-11-20;1-14-3-5-20(16-4-6-21-19(10-16)29-24(34-21)17-7-8-33-13-17)30(12-14)25(32)23(31)28-18-9-15(2)22(26)27-11-18/h6,10-11,14-15,17,20,22-23,25H,4-5,7-9,12-13,16H2,1-3H3,(H2,31,32)(H,33,37);6,8-11,16,21H,5,7,12-15H2,1-4H3,(H2,29,35)(H,31,36);7,9-12,17,22H,5-6,8,13-16H2,1-4H3,(H2,29,30)(H,31,35);6,8,11-13,16,21-22H,4-5,7,9-10,14-15H2,1-3H3,(H2,28,29)(H,30,34);5,7,12-14,16,21H,4,6,8-11,15H2,1-3H3,(H2,27,28)(H,29,34);6,8-11,15,18,21H,4-5,7,12-14H2,1-3H3,(H2,27,28)(H,29,33);6,8-11,15,19,22H,5,7,12-14H2,1-4H3,(H,28,32);4,6,9-11,14,17,20H,3,5,7-8,12-13H2,1-2H3,(H2,26,27)(H,28,31)/t17-,20?,22?,23?,25+;16-,21+;17-,22+;16-,21+,22-;16-,21+;15-,21+;15-,22+;14-,17?,20+/m00000000/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 4130.35 g/mol, XLogP of 30.44, 34 rotatable bonds, 15 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(2S)-4-methylmorpholin-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(oxolan-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylazetidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164993113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).