N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide

C43H61N9O4S6 — CID 91610573

About N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide

N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide (PubChem CID 91610573) has the molecular formula C43H61N9O4S6 and a molecular weight of 960.42 g/mol. Its IUPAC name is N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide
• PubChem CID: 91610573
• Molecular Formula: C43H61N9O4S6
• Molecular Weight: 960.42 g/mol
• Exact Mass: 959.32
• IUPAC Name: N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NCC2CCC(Nc3nc(-c4nc(C)sc4C)cs3)CC2)cc1.Cc1nc(-c2csc(NCC3CCC(CNS(=O)(=O)N4CCCCC4)CC3)n2)c(C)s1
• InChI: InChI=1S/C22H28N4O2S3.C21H33N5O2S3/c1-14-4-10-19(11-5-14)31(27,28)23-12-17-6-8-18(9-7-17)25-22-26-20(13-29-22)21-15(2)30-16(3)24-21;1-15-20(24-16(2)30-15)19-14-29-21(25-19)22-12-17-6-8-18(9-7-17)13-23-31(27,28)26-10-4-3-5-11-26/h4-5,10-11,13,17-18,23H,6-9,12H2,1-3H3,(H,25,26);14,17-18,23H,3-13H2,1-2H3,(H,22,25)
• InChIKey: LZOYLOBHEBPYSK-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 171.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.42
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide?

The IUPAC name of N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide (CID 91610573) is N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide.

What is the SMILES notation for N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide?

The canonical SMILES for N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(Nc3nc(-c4nc(C)sc4C)cs3)CC2)cc1.Cc1nc(-c2csc(NCC3CCC(CNS(=O)(=O)N4CCCCC4)CC3)n2)c(C)s1.

What is the InChIKey of N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide?

The InChIKey is LZOYLOBHEBPYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S3.C21H33N5O2S3/c1-14-4-10-19(11-5-14)31(27,28)23-12-17-6-8-18(9-7-17)25-22-26-20(13-29-22)21-15(2)30-16(3)24-21;1-15-20(24-16(2)30-15)19-14-29-21(25-19)22-12-17-6-8-18(9-7-17)13-23-31(27,28)26-10-4-3-5-11-26/h4-5,10-11,13,17-18,23H,6-9,12H2,1-3H3,(H,25,26);14,17-18,23H,3-13H2,1-2H3,(H,22,25).

What are the key properties of N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide?

N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide has a molecular weight of 960.42 g/mol, XLogP of 9.56, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[4-[[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 91610573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).