1,3-thiazole-2-carbonyl chloride

C4H2ClNOS — CID 2795211

IUPAC1,3-thiazole-2-carbonyl chloride
SMILESO=C(Cl)c1nccs1
InChIInChI=1S/C4H2ClNOS/c5-3(7)4-6-1-2-8-4/h1-2H
InChIKeyHKZCFGQSWLWNQA-UHFFFAOYSA-N
MW147.59 g/mol
LogP1.52
Rot. Bonds1

About 1,3-thiazole-2-carbonyl chloride

1,3-thiazole-2-carbonyl chloride (PubChem CID 2795211) has the molecular formula C4H2ClNOS and a molecular weight of 147.59 g/mol. Its IUPAC name is 1,3-thiazole-2-carbonyl chloride.

Molecular Properties

Compound Name1,3-thiazole-2-carbonyl chloride
PubChem CID2795211
Molecular FormulaC4H2ClNOS
Molecular Weight147.59 g/mol
Exact Mass146.95
IUPAC Name1,3-thiazole-2-carbonyl chloride
SMILESO=C(Cl)c1nccs1
InChIInChI=1S/C4H2ClNOS/c5-3(7)4-6-1-2-8-4/h1-2H
InChIKeyHKZCFGQSWLWNQA-UHFFFAOYSA-N
XLogP1.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.59
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Thiazole-2-carbaldehyde
CID 2734903
2-(Trichloroacetyl)thiazole
CID 13032466
1,3-Thiazole-2-carbonyl fluoride
CID 23261591
Sodium 1,3-thiazole-2-carbothioate
CID 20706988
Thiazole-2-thiocarboxylic acid
CID 20706989
2-(1,3-Thiazol-2-yl)acetyl chloride
CID 21163669
1,3-Thiazole-2-carboxamide;hydrochloride
CID 21256847
Carbonyl dichloride;1,3-thiazole
CID 22467110
2-(1,3-Thiazol-2-yloxyimino)acetyl chloride
CID 54411805
S-(1,3-thiazol-2-ylmethyl) ethanethioate
CID 54428470
1,3-Thiazole-2-carbonyl isocyanate
CID 57153951
1,3-Thiazol-2-ylmethanone;yttrium
CID 58297572

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-carbonyl chloride?
The IUPAC name of 1,3-thiazole-2-carbonyl chloride (CID 2795211) is 1,3-thiazole-2-carbonyl chloride.
What is the SMILES notation for 1,3-thiazole-2-carbonyl chloride?
The canonical SMILES for 1,3-thiazole-2-carbonyl chloride is O=C(Cl)c1nccs1.
What is the InChIKey of 1,3-thiazole-2-carbonyl chloride?
The InChIKey is HKZCFGQSWLWNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNOS/c5-3(7)4-6-1-2-8-4/h1-2H.
What are the key properties of 1,3-thiazole-2-carbonyl chloride?
1,3-thiazole-2-carbonyl chloride has a molecular weight of 147.59 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carbonyl chloride is sourced from PubChem (CID 2795211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).