2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide

C15H12F3N5OS2 — CID 9422534

About 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide

2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide (PubChem CID 9422534) has the molecular formula C15H12F3N5OS2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
• PubChem CID: 9422534
• Molecular Formula: C15H12F3N5OS2
• Molecular Weight: 399.42 g/mol
• Exact Mass: 399.04
• IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
• SMILES: Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)s2)nnc1-c1ccncc1
• InChI: InChI=1S/C15H12F3N5OS2/c1-23-13(9-4-6-19-7-5-9)21-22-14(23)25-8-11(24)20-12-3-2-10(26-12)15(16,17)18/h2-7H,8H2,1H3,(H,20,24)
• InChIKey: LYFLPZWSKNMTQS-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.42
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide (CID 9422534) is 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide.

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

The canonical SMILES for 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide is Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)s2)nnc1-c1ccncc1.

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

The InChIKey is LYFLPZWSKNMTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS2/c1-23-13(9-4-6-19-7-5-9)21-22-14(23)25-8-11(24)20-12-3-2-10(26-12)15(16,17)18/h2-7H,8H2,1H3,(H,20,24).

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

2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide has a molecular weight of 399.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 9422534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).