3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride

C11H8ClNOS — CID 2795381

IUPAC3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride
SMILESCc1nc(-c2cccc(C(=O)Cl)c2)cs1
InChIInChI=1S/C11H8ClNOS/c1-7-13-10(6-15-7)8-3-2-4-9(5-8)11(12)14/h2-6H,1H3
InChIKeyHPNXILHANJPJMT-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.50
Rot. Bonds2

About 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride

3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride (PubChem CID 2795381) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride
PubChem CID2795381
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride
SMILESCc1nc(-c2cccc(C(=O)Cl)c2)cs1
InChIInChI=1S/C11H8ClNOS/c1-7-13-10(6-15-7)8-3-2-4-9(5-8)11(12)14/h2-6H,1H3
InChIKeyHPNXILHANJPJMT-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 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride (CID 2795381) is 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride is Cc1nc(-c2cccc(C(=O)Cl)c2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride?
The InChIKey is HPNXILHANJPJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-13-10(6-15-7)8-3-2-4-9(5-8)11(12)14/h2-6H,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride?
3-(2-methyl-1,3-thiazol-4-yl)benzoyl 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 3-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride is sourced from PubChem (CID 2795381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).