4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride

C11H8ClNOS — CID 2776120

IUPAC4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride
SMILESCc1nc(-c2ccccc2)sc1C(=O)Cl
InChIInChI=1S/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyZQWZVEKZFVCSNY-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.50
Rot. Bonds2

About 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride

4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride (PubChem CID 2776120) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride
PubChem CID2776120
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride
SMILESCc1nc(-c2ccccc2)sc1C(=O)Cl
InChIInChI=1S/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyZQWZVEKZFVCSNY-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride (CID 2776120) is 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride is Cc1nc(-c2ccccc2)sc1C(=O)Cl.
What is the InChIKey of 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride?
The InChIKey is ZQWZVEKZFVCSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride?
4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride has a molecular weight of 237.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 2776120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).