N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H9BrN4OS — CID 750025

IUPACN-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Br
InChIInChI=1S/C10H9BrN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyXZPRAFIMHSHMCK-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.30
Rot. Bonds4

About N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 750025) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID750025
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC NameN-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Br
InChIInChI=1S/C10H9BrN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyXZPRAFIMHSHMCK-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)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-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 750025) is N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is XZPRAFIMHSHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15).
What are the key properties of N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 313.18 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 750025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).