3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

C146H134F8N32O6S5 — CID 160695394

IUPAC3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESN#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)C4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCCC(F)(F)C4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)C4)CC5)c3)c2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCCC(F)(F)C4)CC5)c3)c2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCC(=O)CC4)CC5)c3)c2)cc1
InChIInChI=1S/C30H28F2N6OS.C30H28N6O2S.C29H27F2N7OS.C29H26F2N6OS.C28H25F2N7OS/c31-30(32)11-2-12-37(19-30)25-9-10-26-27(14-25)40-29(35-26)36-28(39)23-4-1-3-21(13-23)17-38-18-24(16-34-38)22-7-5-20(15-33)6-8-22;31-16-20-4-6-22(7-5-20)24-17-32-36(19-24)18-21-2-1-3-23(14-21)29(38)34-30-33-27-9-8-25(15-28(27)39-30)35-12-10-26(37)11-13-35;30-29(31)11-2-12-37(18-29)23-9-10-24-26(14-23)40-28(33-24)34-27(39)22-4-1-3-20(13-22)16-38-17-25(35-36-38)21-7-5-19(15-32)6-8-21;30-29(31)10-11-36(18-29)24-8-9-25-26(13-24)39-28(34-25)35-27(38)22-3-1-2-20(12-22)16-37-17-23(15-33-37)21-6-4-19(14-32)5-7-21;29-28(30)10-11-36(17-28)22-8-9-23-25(13-22)39-27(32-23)33-26(38)21-3-1-2-19(12-21)15-37-16-24(34-35-37)20-6-4-18(14-31)5-7-20/h1,3-8,13,16,18,25H,2,9-12,14,17,19H2,(H,35,36,39);1-7,14,17,19,25H,8-13,15,18H2,(H,33,34,38);1,3-8,13,17,23H,2,9-12,14,16,18H2,(H,33,34,39);1-7,12,15,17,24H,8-11,13,16,18H2,(H,34,35,38);1-7,12,16,22H,8-11,13,15,17H2,(H,32,33,38)/t;25-;;;/m.0.../s1
InChIKeyRPXWBOFRBXUOJR-BNQGDABJSA-N
MW2745.21 g/mol
LogP25.78
Rot. Bonds30

About 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 160695394) has the molecular formula C146H134F8N32O6S5 and a molecular weight of 2745.21 g/mol. Its IUPAC name is 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
PubChem CID160695394
Molecular FormulaC146H134F8N32O6S5
Molecular Weight2745.21 g/mol
Exact Mass2742.96
IUPAC Name3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESN#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)C4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCCC(F)(F)C4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)C4)CC5)c3)c2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCCC(F)(F)C4)CC5)c3)c2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCC(=O)CC4)CC5)c3)c2)cc1
InChIInChI=1S/C30H28F2N6OS.C30H28N6O2S.C29H27F2N7OS.C29H26F2N6OS.C28H25F2N7OS/c31-30(32)11-2-12-37(19-30)25-9-10-26-27(14-25)40-29(35-26)36-28(39)23-4-1-3-21(13-23)17-38-18-24(16-34-38)22-7-5-20(15-33)6-8-22;31-16-20-4-6-22(7-5-20)24-17-32-36(19-24)18-21-2-1-3-23(14-21)29(38)34-30-33-27-9-8-25(15-28(27)39-30)35-12-10-26(37)11-13-35;30-29(31)11-2-12-37(18-29)23-9-10-24-26(14-23)40-28(33-24)34-27(39)22-4-1-3-20(13-22)16-38-17-25(35-36-38)21-7-5-19(15-32)6-8-21;30-29(31)10-11-36(18-29)24-8-9-25-26(13-24)39-28(34-25)35-27(38)22-3-1-2-20(12-22)16-37-17-23(15-33-37)21-6-4-19(14-32)5-7-21;29-28(30)10-11-36(17-28)22-8-9-23-25(13-22)39-27(32-23)33-26(38)21-3-1-2-19(12-21)15-37-16-24(34-35-37)20-6-4-18(14-31)5-7-20/h1,3-8,13,16,18,25H,2,9-12,14,17,19H2,(H,35,36,39);1-7,14,17,19,25H,8-13,15,18H2,(H,33,34,38);1,3-8,13,17,23H,2,9-12,14,16,18H2,(H,33,34,39);1-7,12,15,17,24H,8-11,13,16,18H2,(H,34,35,38);1-7,12,16,22H,8-11,13,15,17H2,(H,32,33,38)/t;25-;;;/m.0.../s1
InChIKeyRPXWBOFRBXUOJR-BNQGDABJSA-N
XLogP25.78
TPSA477.05 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002745.21
LogP ≤ 525.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide with MolForge

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Related Compounds

3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56966024
3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56966672
3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56967095
3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56967096
3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56967097
3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56967098
N-[(6S)-6-[bis(3,3,3-trifluoropropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 157686907
N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)imidazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(3-cyanopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(3-cyanophenyl)pyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 158249575
N-[(6S)-6-[bis(3,3,3-trifluoropropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(3-cyanophenyl)piperazin-1-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 158477472
3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 158786306
3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[methyl(3,3,3-trifluoropropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;formaldehyde
CID 159091647
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[methyl(3,3,3-trifluoropropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-[methyl(3,3,3-trifluoropropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 161192951

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 160695394) is 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)C4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCCC(F)(F)C4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)C4)CC5)c3)c2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCCC(F)(F)C4)CC5)c3)c2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCC(=O)CC4)CC5)c3)c2)cc1.
What is the InChIKey of 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is RPXWBOFRBXUOJR-BNQGDABJSA-N. The full InChI is InChI=1S/C30H28F2N6OS.C30H28N6O2S.C29H27F2N7OS.C29H26F2N6OS.C28H25F2N7OS/c31-30(32)11-2-12-37(19-30)25-9-10-26-27(14-25)40-29(35-26)36-28(39)23-4-1-3-21(13-23)17-38-18-24(16-34-38)22-7-5-20(15-33)6-8-22;31-16-20-4-6-22(7-5-20)24-17-32-36(19-24)18-21-2-1-3-23(14-21)29(38)34-30-33-27-9-8-25(15-28(27)39-30)35-12-10-26(37)11-13-35;30-29(31)11-2-12-37(18-29)23-9-10-24-26(14-23)40-28(33-24)34-27(39)22-4-1-3-20(13-22)16-38-17-25(35-36-38)21-7-5-19(15-32)6-8-21;30-29(31)10-11-36(18-29)24-8-9-25-26(13-24)39-28(34-25)35-27(38)22-3-1-2-20(12-22)16-37-17-23(15-33-37)21-6-4-19(14-32)5-7-21;29-28(30)10-11-36(17-28)22-8-9-23-25(13-22)39-27(32-23)33-26(38)21-3-1-2-19(12-21)15-37-16-24(34-35-37)20-6-4-18(14-31)5-7-20/h1,3-8,13,16,18,25H,2,9-12,14,17,19H2,(H,35,36,39);1-7,14,17,19,25H,8-13,15,18H2,(H,33,34,38);1,3-8,13,17,23H,2,9-12,14,16,18H2,(H,33,34,39);1-7,12,15,17,24H,8-11,13,16,18H2,(H,34,35,38);1-7,12,16,22H,8-11,13,15,17H2,(H,32,33,38)/t;25-;;;/m.0.../s1.
What are the key properties of 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 2745.21 g/mol, XLogP of 25.78, 30 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-(4-oxopiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 160695394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).