N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C27H23N5OS2 — CID 46855315

About N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 46855315) has the molecular formula C27H23N5OS2 and a molecular weight of 497.65 g/mol. Its IUPAC name is N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 46855315
• Molecular Formula: C27H23N5OS2
• Molecular Weight: 497.65 g/mol
• Exact Mass: 497.13
• IUPAC Name: N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1nnc(SCC(=O)Nc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)s1
• InChI: InChI=1S/C27H23N5OS2/c1-18-30-31-27(35-18)34-17-23(33)28-22-15-13-21(14-16-22)26-29-24(19-9-5-3-6-10-19)25(32(26)2)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,28,33)
• InChIKey: QATDFVJJVTZKOU-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.65
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 46855315) is N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)s1.

What is the InChIKey of N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is QATDFVJJVTZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5OS2/c1-18-30-31-27(35-18)34-17-23(33)28-22-15-13-21(14-16-22)26-29-24(19-9-5-3-6-10-19)25(32(26)2)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,28,33).

What are the key properties of N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 497.65 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46855315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).