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

C12H14N4OS — CID 2175808

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESCCc1nc(SCC(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C12H14N4OS/c1-2-10-14-12(16-15-10)18-8-11(17)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyDYONOEYAIQGVKM-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.10
Rot. Bonds5

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

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2175808) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID2175808
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESCCc1nc(SCC(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C12H14N4OS/c1-2-10-14-12(16-15-10)18-8-11(17)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyDYONOEYAIQGVKM-UHFFFAOYSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethyl-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-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (CID 2175808) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is CCc1nc(SCC(=O)Nc2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is DYONOEYAIQGVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-10-14-12(16-15-10)18-8-11(17)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 262.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2175808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).