2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide

C13H12ClN3OS — CID 42172347

IUPAC2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide
SMILESCSc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C13H12ClN3OS/c1-19-13-7-6-11(16-17-13)15-12(18)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyQPEVIBOIXGDOIM-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide

2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide (PubChem CID 42172347) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide
PubChem CID42172347
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide
SMILESCSc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C13H12ClN3OS/c1-19-13-7-6-11(16-17-13)15-12(18)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyQPEVIBOIXGDOIM-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)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 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide (CID 42172347) is 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide is CSc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is QPEVIBOIXGDOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-19-13-7-6-11(16-17-13)15-12(18)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16,18).
What are the key properties of 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 293.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 42172347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).