2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide

C12H14N4OS — CID 2976575

IUPAC2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide
SMILESCc1ccc(SC(C)C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H14N4OS/c1-9-3-5-11(6-4-9)18-10(2)12(17)15-16-7-13-14-8-16/h3-8,10H,1-2H3,(H,15,17)
InChIKeyHDTOUGAVQJTWNX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide

2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 2976575) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID2976575
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide
SMILESCc1ccc(SC(C)C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H14N4OS/c1-9-3-5-11(6-4-9)18-10(2)12(17)15-16-7-13-14-8-16/h3-8,10H,1-2H3,(H,15,17)
InChIKeyHDTOUGAVQJTWNX-UHFFFAOYSA-N
XLogP1.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide 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-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide (CID 2976575) is 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide is Cc1ccc(SC(C)C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is HDTOUGAVQJTWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-9-3-5-11(6-4-9)18-10(2)12(17)15-16-7-13-14-8-16/h3-8,10H,1-2H3,(H,15,17).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide?
2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 262.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 2976575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).