4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole

C50H62N6O4S4 — CID 87551931

About 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole

4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole (PubChem CID 87551931) has the molecular formula C50H62N6O4S4 and a molecular weight of 939.35 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
• PubChem CID: 87551931
• Molecular Formula: C50H62N6O4S4
• Molecular Weight: 939.35 g/mol
• Exact Mass: 938.37
• IUPAC Name: 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
• SMILES: Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc(-c4c(C)cccc4C)cs3)CC2)c1C.Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c1C
• InChI: InChI=1S/2C25H31N3O2S2/c1-16-8-7-9-22(19(16)4)23-15-31-25(26-23)27-10-12-28(13-11-27)32(29,30)24-20(5)17(2)14-18(3)21(24)6;1-16-8-7-9-17(2)23(16)22-15-31-25(26-22)27-10-12-28(13-11-27)32(29,30)24-20(5)18(3)14-19(4)21(24)6/h2*7-9,14-15H,10-13H2,1-6H3
• InChIKey: KDSWTHXIRPEORO-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 107.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.35
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?

The IUPAC name of 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole (CID 87551931) is 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole.

What is the SMILES notation for 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?

The canonical SMILES for 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc(-c4c(C)cccc4C)cs3)CC2)c1C.Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c1C.

What is the InChIKey of 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?

The InChIKey is KDSWTHXIRPEORO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31N3O2S2/c1-16-8-7-9-22(19(16)4)23-15-31-25(26-23)27-10-12-28(13-11-27)32(29,30)24-20(5)17(2)14-18(3)21(24)6;1-16-8-7-9-17(2)23(16)22-15-31-25(26-22)27-10-12-28(13-11-27)32(29,30)24-20(5)18(3)14-19(4)21(24)6/h2*7-9,14-15H,10-13H2,1-6H3.

What are the key properties of 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?

4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 939.35 g/mol, XLogP of 10.34, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 87551931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).