N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide

C10H12N4OS2 — CID 43552904

IUPACN-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C10H12N4OS2/c1-7(15)11-4-5-14-9(12-13-10(14)16)8-3-2-6-17-8/h2-3,6H,4-5H2,1H3,(H,11,15)(H,13,16)
InChIKeySKHQKAIUIMMJLR-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide

N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide (PubChem CID 43552904) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide
PubChem CID43552904
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC NameN-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C10H12N4OS2/c1-7(15)11-4-5-14-9(12-13-10(14)16)8-3-2-6-17-8/h2-3,6H,4-5H2,1H3,(H,11,15)(H,13,16)
InChIKeySKHQKAIUIMMJLR-UHFFFAOYSA-N
XLogP1.81
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide 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 N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide (CID 43552904) is N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide is CC(=O)NCCn1c(-c2cccs2)n[nH]c1=S.
What is the InChIKey of N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide?
The InChIKey is SKHQKAIUIMMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-7(15)11-4-5-14-9(12-13-10(14)16)8-3-2-6-17-8/h2-3,6H,4-5H2,1H3,(H,11,15)(H,13,16).
What are the key properties of N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide?
N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide has a molecular weight of 268.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 43552904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).