1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one

C145H198N26O5S5 — CID 159164328

IUPAC1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one
SMILESCCCN(CCC1CCC(CC(=O)Cc2ccc(-n3ccnc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)Cc2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2cn(C)c3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C30H41N5OS.C29H40N6OS.C29H39N5OS.C29H40N4OS.C28H38N6OS/c1-2-15-34(26-11-12-28-29(20-26)37-30(31)33-28)16-13-22-3-5-23(6-4-22)18-27(36)19-24-7-9-25(10-8-24)35-17-14-32-21-35;1-2-14-34(25-11-12-27-28(18-25)37-29(30)33-27)15-13-21-3-5-22(6-4-21)16-26(36)17-23-7-9-24(10-8-23)35-20-31-19-32-35;1-2-16-33(25-12-13-26-28(20-25)36-29(30)32-26)18-14-21-4-6-22(7-5-21)19-27(35)23-8-10-24(11-9-23)34-17-3-15-31-34;1-3-15-33(22-12-13-25-28(18-22)35-29(30)31-25)16-14-20-8-10-21(11-9-20)17-27(34)24-19-32(2)26-7-5-4-6-23(24)26;1-2-14-33(24-11-12-25-27(17-24)36-28(29)32-25)15-13-20-3-5-21(6-4-20)16-26(35)22-7-9-23(10-8-22)34-19-30-18-31-34/h7-10,14,17,21-23,26H,2-6,11-13,15-16,18-20H2,1H3,(H2,31,33);7-10,19-22,25H,2-6,11-18H2,1H3,(H2,30,33);3,8-11,15,17,21-22,25H,2,4-7,12-14,16,18-20H2,1H3,(H2,30,32);4-7,19-22H,3,8-18H2,1-2H3,(H2,30,31);7-10,18-21,24H,2-6,11-17H2,1H3,(H2,29,32)/t22?,23?,26-;2*21?,22?,25-;20?,21?,22-;20?,21?,24-/m00000/s1
InChIKeyKKWODYNFGXHWKE-YYHZUTLWSA-N
MW2545.69 g/mol
LogP28.70
Rot. Bonds51

About 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one

1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one (PubChem CID 159164328) has the molecular formula C145H198N26O5S5 and a molecular weight of 2545.69 g/mol. Its IUPAC name is 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one
PubChem CID159164328
Molecular FormulaC145H198N26O5S5
Molecular Weight2545.69 g/mol
Exact Mass2543.46
IUPAC Name1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one
SMILESCCCN(CCC1CCC(CC(=O)Cc2ccc(-n3ccnc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)Cc2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2cn(C)c3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C30H41N5OS.C29H40N6OS.C29H39N5OS.C29H40N4OS.C28H38N6OS/c1-2-15-34(26-11-12-28-29(20-26)37-30(31)33-28)16-13-22-3-5-23(6-4-22)18-27(36)19-24-7-9-25(10-8-24)35-17-14-32-21-35;1-2-14-34(25-11-12-27-28(18-25)37-29(30)33-27)15-13-21-3-5-22(6-4-21)16-26(36)17-23-7-9-24(10-8-23)35-20-31-19-32-35;1-2-16-33(25-12-13-26-28(20-25)36-29(30)32-26)18-14-21-4-6-22(7-5-21)19-27(35)23-8-10-24(11-9-23)34-17-3-15-31-34;1-3-15-33(22-12-13-25-28(18-22)35-29(30)31-25)16-14-20-8-10-21(11-9-20)17-27(34)24-19-32(2)26-7-5-4-6-23(24)26;1-2-14-33(24-11-12-25-27(17-24)36-28(29)32-25)15-13-20-3-5-21(6-4-20)16-26(35)22-7-9-23(10-8-22)34-19-30-18-31-34/h7-10,14,17,21-23,26H,2-6,11-13,15-16,18-20H2,1H3,(H2,31,33);7-10,19-22,25H,2-6,11-18H2,1H3,(H2,30,33);3,8-11,15,17,21-22,25H,2,4-7,12-14,16,18-20H2,1H3,(H2,30,32);4-7,19-22H,3,8-18H2,1-2H3,(H2,30,31);7-10,18-21,24H,2-6,11-17H2,1H3,(H2,29,32)/t22?,23?,26-;2*21?,22?,25-;20?,21?,22-;20?,21?,24-/m00000/s1
InChIKeyKKWODYNFGXHWKE-YYHZUTLWSA-N
XLogP28.70
TPSA398.09 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds51
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.69
LogP ≤ 528.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one with MolForge

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Related Compounds

2-[3-[4-[2-[3-(Dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone
CID 158061171
2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione
CID 157264552
1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 158001003
1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 158263171
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide
CID 158358760
pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide
CID 159239238
CID 159663491
CID 159663491
2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;2-bromo-1-[4-(4-methylimidazol-1-yl)phenyl]ethanone;ethanol;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;bis((2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)thiourea);methane
CID 159806721
2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;2-bromo-1-[4-(4-methylimidazol-1-yl)phenyl]ethanone;ethanol;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;methane;4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;bis((2-methyl-4,5,6,7-tetrahydroindazol-3-yl)thiourea)
CID 160715575
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide
CID 160763262
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzothiazol-2-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 161000356
bis(4-[[3-(4-aminobutyl)-4,5-dimethyl-1,3-thiazol-3-ium-2-yl]diazenyl]-N,N-diethylaniline);bis(4-[[1-(4-aminobutyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline);bis(1-(4-aminobutyl)-4-[(1-methylpyridin-1-ium-3-yl)diazenyl]pyrazol-5-amine);tris(bis(2-aminoethyl)-[2-[(9,10-dioxoanthracen-1-yl)amino]ethyl]-methylazanium);hydron
CID 161254216

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one (CID 159164328) is 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one is CCCN(CCC1CCC(CC(=O)Cc2ccc(-n3ccnc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)Cc2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2cn(C)c3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1.
What is the InChIKey of 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one?
The InChIKey is KKWODYNFGXHWKE-YYHZUTLWSA-N. The full InChI is InChI=1S/C30H41N5OS.C29H40N6OS.C29H39N5OS.C29H40N4OS.C28H38N6OS/c1-2-15-34(26-11-12-28-29(20-26)37-30(31)33-28)16-13-22-3-5-23(6-4-22)18-27(36)19-24-7-9-25(10-8-24)35-17-14-32-21-35;1-2-14-34(25-11-12-27-28(18-25)37-29(30)33-27)15-13-21-3-5-22(6-4-21)16-26(36)17-23-7-9-24(10-8-23)35-20-31-19-32-35;1-2-16-33(25-12-13-26-28(20-25)36-29(30)32-26)18-14-21-4-6-22(7-5-21)19-27(35)23-8-10-24(11-9-23)34-17-3-15-31-34;1-3-15-33(22-12-13-25-28(18-22)35-29(30)31-25)16-14-20-8-10-21(11-9-20)17-27(34)24-19-32(2)26-7-5-4-6-23(24)26;1-2-14-33(24-11-12-25-27(17-24)36-28(29)32-25)15-13-20-3-5-21(6-4-20)16-26(35)22-7-9-23(10-8-22)34-19-30-18-31-34/h7-10,14,17,21-23,26H,2-6,11-13,15-16,18-20H2,1H3,(H2,31,33);7-10,19-22,25H,2-6,11-18H2,1H3,(H2,30,33);3,8-11,15,17,21-22,25H,2,4-7,12-14,16,18-20H2,1H3,(H2,30,32);4-7,19-22H,3,8-18H2,1-2H3,(H2,30,31);7-10,18-21,24H,2-6,11-17H2,1H3,(H2,29,32)/t22?,23?,26-;2*21?,22?,25-;20?,21?,22-;20?,21?,24-/m00000/s1.
What are the key properties of 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one?
1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one has a molecular weight of 2545.69 g/mol, XLogP of 28.70, 51 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-(4-imidazol-1-ylphenyl)propan-2-one;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(1-methylindol-3-yl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(4-pyrazol-1-ylphenyl)ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanone;1-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-one is sourced from PubChem (CID 159164328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).