2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide

C21H21N5O2S2 — CID 86963595

About 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide (PubChem CID 86963595) has the molecular formula C21H21N5O2S2 and a molecular weight of 439.57 g/mol. Its IUPAC name is 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
• PubChem CID: 86963595
• Molecular Formula: C21H21N5O2S2
• Molecular Weight: 439.57 g/mol
• Exact Mass: 439.11
• IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
• SMILES: CC(C)c1cnc(-c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C)cc2)o1
• InChI: InChI=1S/C21H21N5O2S2/c1-13(2)16-11-22-20(28-16)14-6-8-15(9-7-14)23-18(27)12-30-21-25-24-19(26(21)3)17-5-4-10-29-17/h4-11,13H,12H2,1-3H3,(H,23,27)
• InChIKey: VWQBDJJOEXASIW-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.57
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide (CID 86963595) is 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide.

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

The canonical SMILES for 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide is CC(C)c1cnc(-c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C)cc2)o1.

What is the InChIKey of 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide?

The InChIKey is VWQBDJJOEXASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S2/c1-13(2)16-11-22-20(28-16)14-6-8-15(9-7-14)23-18(27)12-30-21-25-24-19(26(21)3)17-5-4-10-29-17/h4-11,13H,12H2,1-3H3,(H,23,27).

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

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide has a molecular weight of 439.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 86963595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).