N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C21H18N4OS2 — CID 2336920

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 2336920) has the molecular formula C21H18N4OS2 and a molecular weight of 406.54 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
• PubChem CID: 2336920
• Molecular Formula: C21H18N4OS2
• Molecular Weight: 406.54 g/mol
• Exact Mass: 406.09
• IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)[nH]3)n2)cc1
• InChI: InChI=1S/C21H18N4OS2/c1-14-7-9-16(10-8-14)18-12-27-21(24-18)25-19(26)13-28-20-22-11-17(23-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25,26)
• InChIKey: NBQVUWCMHIMWAP-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.54
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 2336920) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is Cc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)[nH]3)n2)cc1.

What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?

The InChIKey is NBQVUWCMHIMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS2/c1-14-7-9-16(10-8-14)18-12-27-21(24-18)25-19(26)13-28-20-22-11-17(23-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25,26).

What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 406.54 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2336920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).