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

C73H107N19O9S12 — CID 159135850

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

4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide (PubChem CID 159135850) has the molecular formula C73H107N19O9S12 and a molecular weight of 1779.59 g/mol. Its IUPAC name is 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide
• PubChem CID: 159135850
• Molecular Formula: C73H107N19O9S12
• Molecular Weight: 1779.59 g/mol
• Exact Mass: 1777.51
• IUPAC Name: 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide
• SMILES: CN(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3nccs3)cs2)CC1.Cc1ccc(S(=O)(=O)NCC2CCC(Nc3nc(-c4nc(C)sc4C)cs3)CC2)cc1.Cc1nc(-c2csc(NC3CCC(CNS(=O)(=O)N(C)C)CC3)n2)c(C)s1.Cc1nc(-c2csc(NC3CCCC(CNS(=O)(=O)N4CCOCC4)C3)n2)c(C)s1
• InChI: InChI=1S/C22H28N4O2S3.C19H29N5O3S3.C17H27N5O2S3.C15H23N5O2S3/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;1-13-18(21-14(2)29-13)17-12-28-19(23-17)22-16-5-3-4-15(10-16)11-20-30(25,26)24-6-8-27-9-7-24;1-11-16(19-12(2)26-11)15-10-25-17(21-15)20-14-7-5-13(6-8-14)9-18-27(23,24)22(3)4;1-20(2)25(21,22)17-9-11-3-5-12(6-4-11)18-15-19-13(10-24-15)14-16-7-8-23-14/h4-5,10-11,13,17-18,23H,6-9,12H2,1-3H3,(H,25,26);12,15-16,20H,3-11H2,1-2H3,(H,22,23);10,13-14,18H,5-9H2,1-4H3,(H,20,21);7-8,10-12,17H,3-6,9H2,1-2H3,(H,18,19)
• InChIKey: KHMCOSPDLXRLOR-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 354.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.59
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide (CID 159135850) is 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide.

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

The canonical SMILES for 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide is CN(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3nccs3)cs2)CC1.Cc1ccc(S(=O)(=O)NCC2CCC(Nc3nc(-c4nc(C)sc4C)cs3)CC2)cc1.Cc1nc(-c2csc(NC3CCC(CNS(=O)(=O)N(C)C)CC3)n2)c(C)s1.Cc1nc(-c2csc(NC3CCCC(CNS(=O)(=O)N4CCOCC4)C3)n2)c(C)s1.

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

The InChIKey is KHMCOSPDLXRLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S3.C19H29N5O3S3.C17H27N5O2S3.C15H23N5O2S3/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;1-13-18(21-14(2)29-13)17-12-28-19(23-17)22-16-5-3-4-15(10-16)11-20-30(25,26)24-6-8-27-9-7-24;1-11-16(19-12(2)26-11)15-10-25-17(21-15)20-14-7-5-13(6-8-14)9-18-27(23,24)22(3)4;1-20(2)25(21,22)17-9-11-3-5-12(6-4-11)18-15-19-13(10-24-15)14-16-7-8-23-14/h4-5,10-11,13,17-18,23H,6-9,12H2,1-3H3,(H,25,26);12,15-16,20H,3-11H2,1-2H3,(H,22,23);10,13-14,18H,5-9H2,1-4H3,(H,20,21);7-8,10-12,17H,3-6,9H2,1-2H3,(H,18,19).

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

4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide has a molecular weight of 1779.59 g/mol, XLogP of 14.05, 28 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-1,3-thiazol-4-yl]-2,5-dimethyl-1,3-thiazole;2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-4-(1,3-thiazol-2-yl)-1,3-thiazole;N-[[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]-4-methylbenzenesulfonamide;N-[[3-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 159135850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).