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

C13H14N4O2S — CID 2814345

IUPAC2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1
InChIInChI=1S/C13H14N4O2S/c18-11(14-9-4-2-1-3-5-9)8-20-13-16-15-12(19)17(13)10-6-7-10/h1-5,10H,6-8H2,(H,14,18)(H,15,19)
InChIKeyBTPLSDCMJSFMIC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.64
Rot. Bonds5

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

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2814345) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID2814345
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1
InChIInChI=1S/C13H14N4O2S/c18-11(14-9-4-2-1-3-5-9)8-20-13-16-15-12(19)17(13)10-6-7-10/h1-5,10H,6-8H2,(H,14,18)(H,15,19)
InChIKeyBTPLSDCMJSFMIC-UHFFFAOYSA-N
XLogP1.64
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (CID 2814345) is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1.
What is the InChIKey of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is BTPLSDCMJSFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-11(14-9-4-2-1-3-5-9)8-20-13-16-15-12(19)17(13)10-6-7-10/h1-5,10H,6-8H2,(H,14,18)(H,15,19).
What are the key properties of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 290.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2814345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).