[4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate

C191H188Cl6N54O10S8 — CID 161334934

IUPAC[4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NC1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(Nc4nc5ccccc5s4)n3)c2)CC1.NCC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NCC1CCN(C(=O)c2cccc(Nc3ccnc(Nc4ccc5ncsc5c4)n3)c2)CC1.O=C(c1cccc(Nc2ncc(Cl)c(Nc3nc4ccccc4s3)n2)c1)N1CCCCC1.O=C(c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1)N1CCCCC1
InChIInChI=1S/C28H30ClN7O3S.C24H24ClN7OS.C24H25N7OS.3C23H22ClN7OS.C23H21ClN6OS.C23H22N6OS/c1-28(2,3)39-27(38)34-19-10-12-36(13-11-19)25(37)17-4-6-18(7-5-17)33-26-30-15-21(29)24(35-26)32-20-8-9-22-23(14-20)40-16-31-22;25-19-13-27-24(31-22(19)29-18-5-6-20-21(11-18)34-14-28-20)30-17-3-1-16(2-4-17)23(33)32-9-7-15(12-26)8-10-32;25-14-16-7-10-31(11-8-16)23(32)17-2-1-3-18(12-17)28-22-6-9-26-24(30-22)29-19-4-5-20-21(13-19)33-15-27-20;1-30-8-10-31(11-9-30)22(32)15-2-4-16(5-3-15)28-23-25-13-18(24)21(29-23)27-17-6-7-19-20(12-17)33-14-26-19;24-18-12-26-23(30-21(18)28-17-5-6-19-20(11-17)33-13-27-19)29-16-3-1-14(2-4-16)22(32)31-9-7-15(25)8-10-31;24-17-13-26-22(29-20(17)30-23-28-18-6-1-2-7-19(18)33-23)27-16-5-3-4-14(12-16)21(32)31-10-8-15(25)9-11-31;24-17-14-25-22(28-20(17)29-23-27-18-9-2-3-10-19(18)32-23)26-16-8-6-7-15(13-16)21(31)30-11-4-1-5-12-30;30-22(29-11-2-1-3-12-29)16-5-4-6-17(13-16)27-23-24-10-9-21(28-23)26-18-7-8-19-20(14-18)31-15-25-19/h4-9,14-16,19H,10-13H2,1-3H3,(H,34,38)(H2,30,32,33,35);1-6,11,13-15H,7-10,12,26H2,(H2,27,29,30,31);1-6,9,12-13,15-16H,7-8,10-11,14,25H2,(H2,26,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,25,27,28,29);1-6,11-13,15H,7-10,25H2,(H2,26,28,29,30);1-7,12-13,15H,8-11,25H2,(H2,26,27,28,29,30);2-3,6-10,13-14H,1,4-5,11-12H2,(H2,25,26,27,28,29);4-10,13-15H,1-3,11-12H2,(H2,24,26,27,28)
InChIKeyVLXFEPOYUXFLEB-UHFFFAOYSA-N
MW3869.23 g/mol
LogP41.03
Rot. Bonds43

About [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate

[4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate (PubChem CID 161334934) has the molecular formula C191H188Cl6N54O10S8 and a molecular weight of 3869.23 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate
PubChem CID161334934
Molecular FormulaC191H188Cl6N54O10S8
Molecular Weight3869.23 g/mol
Exact Mass3863.18
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NC1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(Nc4nc5ccccc5s4)n3)c2)CC1.NCC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NCC1CCN(C(=O)c2cccc(Nc3ccnc(Nc4ccc5ncsc5c4)n3)c2)CC1.O=C(c1cccc(Nc2ncc(Cl)c(Nc3nc4ccccc4s3)n2)c1)N1CCCCC1.O=C(c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1)N1CCCCC1
InChIInChI=1S/C28H30ClN7O3S.C24H24ClN7OS.C24H25N7OS.3C23H22ClN7OS.C23H21ClN6OS.C23H22N6OS/c1-28(2,3)39-27(38)34-19-10-12-36(13-11-19)25(37)17-4-6-18(7-5-17)33-26-30-15-21(29)24(35-26)32-20-8-9-22-23(14-20)40-16-31-22;25-19-13-27-24(31-22(19)29-18-5-6-20-21(11-18)34-14-28-20)30-17-3-1-16(2-4-17)23(33)32-9-7-15(12-26)8-10-32;25-14-16-7-10-31(11-8-16)23(32)17-2-1-3-18(12-17)28-22-6-9-26-24(30-22)29-19-4-5-20-21(13-19)33-15-27-20;1-30-8-10-31(11-9-30)22(32)15-2-4-16(5-3-15)28-23-25-13-18(24)21(29-23)27-17-6-7-19-20(12-17)33-14-26-19;24-18-12-26-23(30-21(18)28-17-5-6-19-20(11-17)33-13-27-19)29-16-3-1-14(2-4-16)22(32)31-9-7-15(25)8-10-31;24-17-13-26-22(29-20(17)30-23-28-18-6-1-2-7-19(18)33-23)27-16-5-3-4-14(12-16)21(32)31-10-8-15(25)9-11-31;24-17-14-25-22(28-20(17)29-23-27-18-9-2-3-10-19(18)32-23)26-16-8-6-7-15(13-16)21(31)30-11-4-1-5-12-30;30-22(29-11-2-1-3-12-29)16-5-4-6-17(13-16)27-23-24-10-9-21(28-23)26-18-7-8-19-20(14-18)31-15-25-19/h4-9,14-16,19H,10-13H2,1-3H3,(H,34,38)(H2,30,32,33,35);1-6,11,13-15H,7-10,12,26H2,(H2,27,29,30,31);1-6,9,12-13,15-16H,7-8,10-11,14,25H2,(H2,26,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,25,27,28,29);1-6,11-13,15H,7-10,25H2,(H2,26,28,29,30);1-7,12-13,15H,8-11,25H2,(H2,26,27,28,29,30);2-3,6-10,13-14H,1,4-5,11-12H2,(H2,25,26,27,28,29);4-10,13-15H,1-3,11-12H2,(H2,24,26,27,28)
InChIKeyVLXFEPOYUXFLEB-UHFFFAOYSA-N
XLogP41.03
TPSA809.97 Ų
H-Bond Donors21
H-Bond Acceptors63
Rotatable Bonds43
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003869.23
LogP ≤ 541.03
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1063

Analyze [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8a-ethyl-7-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;2-azaspiro[3.3]heptan-2-yl-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;[3-(dimethylamino)azetidin-1-yl]-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;[3-(methylamino)azetidin-1-yl]-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;(3-methylazetidin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 157236389
(8aS)-7-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carbonyl]spiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclopropane]-3-one;7-azaspiro[3.5]nonan-7-yl-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;(5-methyl-5,8-diazaspiro[3.5]nonan-8-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 157693471
(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]methanone;bis([3-[[2-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone);[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate;[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[[4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]methanone
CID 157729104
N-[2-(dimethylamino)ethyl]-2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carboxamide;N,N-dimethyl-2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carboxamide;(3-methylazetidin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]-piperazin-1-ylmethanone;[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]-(4-propylpiperazin-1-yl)methanone;2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N-(2-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 158404485
1-[3-[[5-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[5-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;4-[[5-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[5-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 158735075
CID 158890065
CID 158890065
N-(2-aminophenyl)-4-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;1-[3-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[4-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 159028578
(7S,8aS)-2-(2-amino-4-pyridinyl)-7-[3-(1,3-benzothiazol-7-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-2-(2-chloro-4-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;tert-butyl N-[4-[(7S,8aS)-7-[3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-pyridinyl]carbamate;tert-butyl carbamate
CID 159033088
CID 159079687
CID 159079687
2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one
CID 159132407
N-benzyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carboxamide;N-methyl-2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carboxamide;N-methyl-2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N-propyl-1,3-benzothiazole-6-carboxamide;1-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]ethanone;[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]-(4-methylpiperidin-1-yl)methanone;2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N-(2-methyl-3-oxobutan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 159137423
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(1,3-benzothiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyrimidin-4-ylbenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide;N-(6-chloro-3-pyridinyl)-2-fluoro-4-[(5S)-5-[[(2-methylsulfanylacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 159688719

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate (CID 161334934) is [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NC1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(Nc4nc5ccccc5s4)n3)c2)CC1.NCC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccc5ncsc5c4)n3)cc2)CC1.NCC1CCN(C(=O)c2cccc(Nc3ccnc(Nc4ccc5ncsc5c4)n3)c2)CC1.O=C(c1cccc(Nc2ncc(Cl)c(Nc3nc4ccccc4s3)n2)c1)N1CCCCC1.O=C(c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1)N1CCCCC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate?
The InChIKey is VLXFEPOYUXFLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN7O3S.C24H24ClN7OS.C24H25N7OS.3C23H22ClN7OS.C23H21ClN6OS.C23H22N6OS/c1-28(2,3)39-27(38)34-19-10-12-36(13-11-19)25(37)17-4-6-18(7-5-17)33-26-30-15-21(29)24(35-26)32-20-8-9-22-23(14-20)40-16-31-22;25-19-13-27-24(31-22(19)29-18-5-6-20-21(11-18)34-14-28-20)30-17-3-1-16(2-4-17)23(33)32-9-7-15(12-26)8-10-32;25-14-16-7-10-31(11-8-16)23(32)17-2-1-3-18(12-17)28-22-6-9-26-24(30-22)29-19-4-5-20-21(13-19)33-15-27-20;1-30-8-10-31(11-9-30)22(32)15-2-4-16(5-3-15)28-23-25-13-18(24)21(29-23)27-17-6-7-19-20(12-17)33-14-26-19;24-18-12-26-23(30-21(18)28-17-5-6-19-20(11-17)33-13-27-19)29-16-3-1-14(2-4-16)22(32)31-9-7-15(25)8-10-31;24-17-13-26-22(29-20(17)30-23-28-18-6-1-2-7-19(18)33-23)27-16-5-3-4-14(12-16)21(32)31-10-8-15(25)9-11-31;24-17-14-25-22(28-20(17)29-23-27-18-9-2-3-10-19(18)32-23)26-16-8-6-7-15(13-16)21(31)30-11-4-1-5-12-30;30-22(29-11-2-1-3-12-29)16-5-4-6-17(13-16)27-23-24-10-9-21(28-23)26-18-7-8-19-20(14-18)31-15-25-19/h4-9,14-16,19H,10-13H2,1-3H3,(H,34,38)(H2,30,32,33,35);1-6,11,13-15H,7-10,12,26H2,(H2,27,29,30,31);1-6,9,12-13,15-16H,7-8,10-11,14,25H2,(H2,26,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,25,27,28,29);1-6,11-13,15H,7-10,25H2,(H2,26,28,29,30);1-7,12-13,15H,8-11,25H2,(H2,26,27,28,29,30);2-3,6-10,13-14H,1,4-5,11-12H2,(H2,25,26,27,28,29);4-10,13-15H,1-3,11-12H2,(H2,24,26,27,28).
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate?
[4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate has a molecular weight of 3869.23 g/mol, XLogP of 41.03, 43 rotatable bonds, 21 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-(aminomethyl)piperidin-1-yl]-[3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;(4-aminopiperidin-1-yl)-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]methanone;[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;[3-[[4-(1,3-benzothiazol-2-ylamino)-5-chloropyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;tert-butyl N-[1-[4-[[4-(1,3-benzothiazol-6-ylamino)-5-chloropyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 161334934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).