2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

C15H13N5O2S — CID 2814342

IUPAC2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1
InChIInChI=1S/C15H13N5O2S/c21-13(17-11-5-2-1-3-6-11)10-23-15-19-18-14(22)20(15)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,21)(H,18,22)
InChIKeyWWTWWOAKOAWSPO-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.69
Rot. Bonds5

About 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2814342) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID2814342
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1
InChIInChI=1S/C15H13N5O2S/c21-13(17-11-5-2-1-3-6-11)10-23-15-19-18-14(22)20(15)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,21)(H,18,22)
InChIKeyWWTWWOAKOAWSPO-UHFFFAOYSA-N
XLogP1.69
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (CID 2814342) is 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1.
What is the InChIKey of 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is WWTWWOAKOAWSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-13(17-11-5-2-1-3-6-11)10-23-15-19-18-14(22)20(15)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,21)(H,18,22).
What are the key properties of 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 327.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2814342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).