N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C25H24N4OS2 — CID 24591525

About N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 24591525) has the molecular formula C25H24N4OS2 and a molecular weight of 460.63 g/mol. Its IUPAC name is N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
• PubChem CID: 24591525
• Molecular Formula: C25H24N4OS2
• Molecular Weight: 460.63 g/mol
• Exact Mass: 460.14
• IUPAC Name: N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
• SMILES: CC(=O)N(c1cccc(C)c1)c1nc(CSc2ncc(-c3ccccc3)n2C2CC2)cs1
• InChI: InChI=1S/C25H24N4OS2/c1-17-7-6-10-22(13-17)28(18(2)30)25-27-20(16-32-25)15-31-24-26-14-23(29(24)21-11-12-21)19-8-4-3-5-9-19/h3-10,13-14,16,21H,11-12,15H2,1-2H3
• InChIKey: NCEJZPUJCSHVOR-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 51.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.63
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?

The IUPAC name of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 24591525) is N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(CSc2ncc(-c3ccccc3)n2C2CC2)cs1.

What is the InChIKey of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?

The InChIKey is NCEJZPUJCSHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS2/c1-17-7-6-10-22(13-17)28(18(2)30)25-27-20(16-32-25)15-31-24-26-14-23(29(24)21-11-12-21)19-8-4-3-5-9-19/h3-10,13-14,16,21H,11-12,15H2,1-2H3.

What are the key properties of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?

N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 460.63 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24591525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).