5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide

C25H31N3O3S2 — CID 145359450

About 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide (PubChem CID 145359450) has the molecular formula C25H31N3O3S2 and a molecular weight of 485.68 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide.

Molecular Properties

• Compound Name: 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide
• PubChem CID: 145359450
• Molecular Formula: C25H31N3O3S2
• Molecular Weight: 485.68 g/mol
• Exact Mass: 485.18
• IUPAC Name: 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide
• SMILES: COc1ccc(NS(=O)c2cc(-c3sc(NC4CCCCC4)nc3C)ccc2OC)c(C)c1
• InChI: InChI=1S/C25H31N3O3S2/c1-16-14-20(30-3)11-12-21(16)28-33(29)23-15-18(10-13-22(23)31-4)24-17(2)26-25(32-24)27-19-8-6-5-7-9-19/h10-15,19,28H,5-9H2,1-4H3,(H,26,27)
• InChIKey: PEWNYVGNIUMWDF-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.68
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide?

The IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide (CID 145359450) is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide.

What is the SMILES notation for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide?

The canonical SMILES for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide is COc1ccc(NS(=O)c2cc(-c3sc(NC4CCCCC4)nc3C)ccc2OC)c(C)c1.

What is the InChIKey of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide?

The InChIKey is PEWNYVGNIUMWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S2/c1-16-14-20(30-3)11-12-21(16)28-33(29)23-15-18(10-13-22(23)31-4)24-17(2)26-25(32-24)27-19-8-6-5-7-9-19/h10-15,19,28H,5-9H2,1-4H3,(H,26,27).

What are the key properties of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide?

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide has a molecular weight of 485.68 g/mol, XLogP of 6.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide is sourced from PubChem (CID 145359450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).