tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

C171H164F4N36O10S6 — CID 158656084

About tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 158656084) has the molecular formula C171H164F4N36O10S6 and a molecular weight of 3151.83 g/mol. Its IUPAC name is tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
• PubChem CID: 158656084
• Molecular Formula: C171H164F4N36O10S6
• Molecular Weight: 3151.83 g/mol
• Exact Mass: 3149.17
• IUPAC Name: tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
• SMILES: CC(C)(C)OC(=O)CC1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1.CN(CCC#N)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1.COCCC[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)nn4)c3)sc2C1.COCCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)nn4)c3)sc2C1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(CCC(F)F)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(CCC(F)F)CC5)c3)c2)cc1
• InChI: InChI=1S/C31H31N5O3S.C29H27N7OS.C28H25F2N5OS.C28H29N7O2S.C28H28N6O2S.C27H24F2N6OS/c1-31(2,3)39-28(37)15-21-9-12-26-27(14-21)40-30(34-26)35-29(38)24-6-4-5-22(13-24)18-36-19-25(17-33-36)23-10-7-20(16-32)8-11-23;1-35(13-3-12-30)25-10-11-26-27(15-25)38-29(33-26)34-28(37)23-5-2-4-21(14-23)18-36-19-24(17-32-36)22-8-6-20(16-31)7-9-22;29-26(30)11-7-18-6-10-24-25(13-18)37-28(33-24)34-27(36)22-3-1-2-20(12-22)16-35-17-23(15-32-35)21-8-4-19(14-31)5-9-21;1-34(12-13-37-2)23-10-11-24-26(15-23)38-28(30-24)31-27(36)22-5-3-4-20(14-22)17-35-18-25(32-33-35)21-8-6-19(16-29)7-9-21;1-36-13-3-5-19-9-12-24-26(15-19)37-28(30-24)31-27(35)23-6-2-4-21(14-23)17-34-18-25(32-33-34)22-10-7-20(16-29)8-11-22;28-25(29)11-7-17-6-10-22-24(13-17)37-27(31-22)32-26(36)21-3-1-2-19(12-21)15-35-16-23(33-34-35)20-8-4-18(14-30)5-9-20/h4-8,10-11,13,17,19,21H,9,12,14-15,18H2,1-3H3,(H,34,35,38);2,4-9,14,17,19,25H,3,10-11,13,15,18H2,1H3,(H,33,34,37);1-5,8-9,12,15,17-18,26H,6-7,10-11,13,16H2,(H,33,34,36);3-9,14,18,23H,10-13,15,17H2,1-2H3,(H,30,31,36);2,4,6-8,10-11,14,18-19H,3,5,9,12-13,15,17H2,1H3,(H,30,31,35);1-5,8-9,12,16-17,25H,6-7,10-11,13,15H2,(H,31,32,36)/t;25-;;23-;19-;/m.0.00./s1
• InChIKey: ICDQPFCWTADSQN-STUSMBFLSA-N
• XLogP: 32.07
• TPSA: 615.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 49
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3151.83
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?

The IUPAC name of tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 158656084) is tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

What is the SMILES notation for tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?

The canonical SMILES for tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is CC(C)(C)OC(=O)CC1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1.CN(CCC#N)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1.COCCC[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)nn4)c3)sc2C1.COCCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)nn4)c3)sc2C1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(CCC(F)F)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(CCC(F)F)CC5)c3)c2)cc1.

What is the InChIKey of tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?

The InChIKey is ICDQPFCWTADSQN-STUSMBFLSA-N. The full InChI is InChI=1S/C31H31N5O3S.C29H27N7OS.C28H25F2N5OS.C28H29N7O2S.C28H28N6O2S.C27H24F2N6OS/c1-31(2,3)39-28(37)15-21-9-12-26-27(14-21)40-30(34-26)35-29(38)24-6-4-5-22(13-24)18-36-19-25(17-33-36)23-10-7-20(16-32)8-11-23;1-35(13-3-12-30)25-10-11-26-27(15-25)38-29(33-26)34-28(37)23-5-2-4-21(14-23)18-36-19-24(17-32-36)22-8-6-20(16-31)7-9-22;29-26(30)11-7-18-6-10-24-25(13-18)37-28(33-24)34-27(36)22-3-1-2-20(12-22)16-35-17-23(15-32-35)21-8-4-19(14-31)5-9-21;1-34(12-13-37-2)23-10-11-24-26(15-23)38-28(30-24)31-27(36)22-5-3-4-20(14-22)17-35-18-25(32-33-35)21-8-6-19(16-29)7-9-21;1-36-13-3-5-19-9-12-24-26(15-19)37-28(30-24)31-27(35)23-6-2-4-21(14-23)17-34-18-25(32-33-34)22-10-7-20(16-29)8-11-22;28-25(29)11-7-17-6-10-22-24(13-17)37-27(31-22)32-26(36)21-3-1-2-19(12-21)15-35-16-23(33-34-35)20-8-4-18(14-30)5-9-20/h4-8,10-11,13,17,19,21H,9,12,14-15,18H2,1-3H3,(H,34,35,38);2,4-9,14,17,19,25H,3,10-11,13,15,18H2,1H3,(H,33,34,37);1-5,8-9,12,15,17-18,26H,6-7,10-11,13,16H2,(H,33,34,36);3-9,14,18,23H,10-13,15,17H2,1-2H3,(H,30,31,36);2,4,6-8,10-11,14,18-19H,3,5,9,12-13,15,17H2,1H3,(H,30,31,35);1-5,8-9,12,16-17,25H,6-7,10-11,13,15H2,(H,31,32,36)/t;25-;;23-;19-;/m.0.00./s1.

What are the key properties of tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?

tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 3151.83 g/mol, XLogP of 32.07, 49 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[[3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetate;N-[(6S)-6-[2-cyanoethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-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)triazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 158656084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).