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

C11H7ClFNOS — CID 172532504

IUPAC2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
SMILESCc1csc(-c2ccc(C(=O)Cl)c(F)c2)n1
InChIInChI=1S/C11H7ClFNOS/c1-6-5-16-11(14-6)7-2-3-8(10(12)15)9(13)4-7/h2-5H,1H3
InChIKeyAQYGJFYGPVAAOS-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.64
Rot. Bonds2

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

2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride (PubChem CID 172532504) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride.

Molecular Properties

Compound Name2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
PubChem CID172532504
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
SMILESCc1csc(-c2ccc(C(=O)Cl)c(F)c2)n1
InChIInChI=1S/C11H7ClFNOS/c1-6-5-16-11(14-6)7-2-3-8(10(12)15)9(13)4-7/h2-5H,1H3
InChIKeyAQYGJFYGPVAAOS-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.64
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 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
The IUPAC name of 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride (CID 172532504) is 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride.
What is the SMILES notation for 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
The canonical SMILES for 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride is Cc1csc(-c2ccc(C(=O)Cl)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
The InChIKey is AQYGJFYGPVAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c1-6-5-16-11(14-6)7-2-3-8(10(12)15)9(13)4-7/h2-5H,1H3.
What are the key properties of 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride has a molecular weight of 255.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride is sourced from PubChem (CID 172532504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).