2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide

C15H13N5OS — CID 651481

IUPAC2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1
InChIInChI=1S/C15H13N5OS/c21-14(18-13-8-4-5-9-16-13)10-22-15-17-11-20(19-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,16,18,21)
InChIKeyAOKWOOXEVCMDTG-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.39
Rot. Bonds5

About 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide

2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 651481) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID651481
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1
InChIInChI=1S/C15H13N5OS/c21-14(18-13-8-4-5-9-16-13)10-22-15-17-11-20(19-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,16,18,21)
InChIKeyAOKWOOXEVCMDTG-UHFFFAOYSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 865893
CID 865893
CID 6461823
CID 6461823
CID 1265808
CID 1265808
CID 1994361
CID 1994361
CID 1990711
CID 1990711
CID 856100
CID 856100
CID 863993
CID 863993
CID 934561
CID 934561
CID 967615
CID 967615
CID 1154989
CID 1154989
CID 2816029
CID 2816029
CID 3961316
CID 3961316

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 651481) is 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1.
What is the InChIKey of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is AOKWOOXEVCMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(18-13-8-4-5-9-16-13)10-22-15-17-11-20(19-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,16,18,21).
What are the key properties of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 311.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 651481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).