3-phenyl-1,2-thiazole-4-carbonyl chloride

C10H6ClNOS — CID 12918170

IUPAC3-phenyl-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1csnc1-c1ccccc1
InChIInChI=1S/C10H6ClNOS/c11-10(13)8-6-14-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyPGWLIJMJWXASNI-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.19
Rot. Bonds2

About 3-phenyl-1,2-thiazole-4-carbonyl chloride

3-phenyl-1,2-thiazole-4-carbonyl chloride (PubChem CID 12918170) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 3-phenyl-1,2-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-phenyl-1,2-thiazole-4-carbonyl chloride
PubChem CID12918170
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name3-phenyl-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1csnc1-c1ccccc1
InChIInChI=1S/C10H6ClNOS/c11-10(13)8-6-14-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyPGWLIJMJWXASNI-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-1,2-thiazole-4-carbonyl chloride 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 3-phenyl-1,2-thiazole-4-carbonyl chloride?
The IUPAC name of 3-phenyl-1,2-thiazole-4-carbonyl chloride (CID 12918170) is 3-phenyl-1,2-thiazole-4-carbonyl chloride.
What is the SMILES notation for 3-phenyl-1,2-thiazole-4-carbonyl chloride?
The canonical SMILES for 3-phenyl-1,2-thiazole-4-carbonyl chloride is O=C(Cl)c1csnc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1,2-thiazole-4-carbonyl chloride?
The InChIKey is PGWLIJMJWXASNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-10(13)8-6-14-12-9(8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-phenyl-1,2-thiazole-4-carbonyl chloride?
3-phenyl-1,2-thiazole-4-carbonyl chloride has a molecular weight of 223.68 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-thiazole-4-carbonyl chloride is sourced from PubChem (CID 12918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).