N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride

C79H89ClF3N15O6S6 — CID 158272188

About N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride

N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride (PubChem CID 158272188) has the molecular formula C79H89ClF3N15O6S6 and a molecular weight of 1629.53 g/mol. Its IUPAC name is N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride
• PubChem CID: 158272188
• Molecular Formula: C79H89ClF3N15O6S6
• Molecular Weight: 1629.53 g/mol
• Exact Mass: 1627.51
• IUPAC Name: N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride
• SMILES: CC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c2c1.CCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(C)C)CC3)c2c1.Cc1cc(N2CCC(n3cc(-c4cccc(C(N)=S)c4)c4ccc(CCc5nnc(C)s5)cc43)CC2)n(C)n1.Cl
• InChI: InChI=1S/C30H33N7S2.C26H32N4O3S2.C23H23F3N4O3S2.ClH/c1-19-15-29(35(3)34-19)36-13-11-24(12-14-36)37-18-26(22-5-4-6-23(17-22)30(31)38)25-9-7-21(16-27(25)37)8-10-28-33-32-20(2)39-28;1-4-25(31)28-20-8-9-22-23(18-6-5-7-19(14-18)26(27)34)16-30(24(22)15-20)21-10-12-29(13-11-21)35(32,33)17(2)3;1-14(31)28-17-5-6-19-20(15-3-2-4-16(11-15)22(27)34)13-30(21(19)12-17)18-7-9-29(10-8-18)35(32,33)23(24,25)26;/h4-7,9,15-18,24H,8,10-14H2,1-3H3,(H2,31,38);5-9,14-17,21H,4,10-13H2,1-3H3,(H2,27,34)(H,28,31);2-6,11-13,18H,7-10H2,1H3,(H2,27,34)(H,28,31);1H
• InChIKey: WLDRVGVDBUTXCX-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 272.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1629.53
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride?

The IUPAC name of N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride (CID 158272188) is N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride.

What is the SMILES notation for N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride?

The canonical SMILES for N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride is CC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c2c1.CCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(C)C)CC3)c2c1.Cc1cc(N2CCC(n3cc(-c4cccc(C(N)=S)c4)c4ccc(CCc5nnc(C)s5)cc43)CC2)n(C)n1.Cl.

What is the InChIKey of N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride?

The InChIKey is WLDRVGVDBUTXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7S2.C26H32N4O3S2.C23H23F3N4O3S2.ClH/c1-19-15-29(35(3)34-19)36-13-11-24(12-14-36)37-18-26(22-5-4-6-23(17-22)30(31)38)25-9-7-21(16-27(25)37)8-10-28-33-32-20(2)39-28;1-4-25(31)28-20-8-9-22-23(18-6-5-7-19(14-18)26(27)34)16-30(24(22)15-20)21-10-12-29(13-11-21)35(32,33)17(2)3;1-14(31)28-17-5-6-19-20(15-3-2-4-16(11-15)22(27)34)13-30(21(19)12-17)18-7-9-29(10-8-18)35(32,33)23(24,25)26;/h4-7,9,15-18,24H,8,10-14H2,1-3H3,(H2,31,38);5-9,14-17,21H,4,10-13H2,1-3H3,(H2,27,34)(H,28,31);2-6,11-13,18H,7-10H2,1H3,(H2,27,34)(H,28,31);1H.

What are the key properties of N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride?

N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride has a molecular weight of 1629.53 g/mol, XLogP of 15.25, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-carbamothioylphenyl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-6-yl]propanamide;N-[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]acetamide;3-[1-[1-(2,5-dimethylpyrazol-3-yl)piperidin-4-yl]-6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]indol-3-yl]benzenecarbothioamide;hydrochloride is sourced from PubChem (CID 158272188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).