N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C24H18N4O2S2 — CID 112845436

About N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 112845436) has the molecular formula C24H18N4O2S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 112845436
• Molecular Formula: C24H18N4O2S2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.09
• IUPAC Name: N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1ccccc1-c1csc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)n1
• InChI: InChI=1S/C24H18N4O2S2/c1-15-6-2-5-9-19(15)20-13-31-23(25-20)26-21(29)14-32-24-28-27-22(30-24)18-11-10-16-7-3-4-8-17(16)12-18/h2-13H,14H2,1H3,(H,25,26,29)
• InChIKey: GHQNBCYXYCICJB-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 112845436) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1ccccc1-c1csc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)n1.

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

The InChIKey is GHQNBCYXYCICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S2/c1-15-6-2-5-9-19(15)20-13-31-23(25-20)26-21(29)14-32-24-28-27-22(30-24)18-11-10-16-7-3-4-8-17(16)12-18/h2-13H,14H2,1H3,(H,25,26,29).

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

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 458.57 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 112845436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).