4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride

C10H5ClFNOS — CID 175869898

IUPAC4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride
SMILESO=C(Cl)c1nscc1-c1ccc(F)cc1
InChIInChI=1S/C10H5ClFNOS/c11-10(14)9-8(5-15-13-9)6-1-3-7(12)4-2-6/h1-5H
InChIKeyMPEGXRBJMJPUTH-UHFFFAOYSA-N
MW241.67 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride

4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride (PubChem CID 175869898) has the molecular formula C10H5ClFNOS and a molecular weight of 241.67 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride
PubChem CID175869898
Molecular FormulaC10H5ClFNOS
Molecular Weight241.67 g/mol
Exact Mass240.98
IUPAC Name4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride
SMILESO=C(Cl)c1nscc1-c1ccc(F)cc1
InChIInChI=1S/C10H5ClFNOS/c11-10(14)9-8(5-15-13-9)6-1-3-7(12)4-2-6/h1-5H
InChIKeyMPEGXRBJMJPUTH-UHFFFAOYSA-N
XLogP3.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-1,2-thiazole-3-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 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride?
The IUPAC name of 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride (CID 175869898) is 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride.
What is the SMILES notation for 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride?
The canonical SMILES for 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride is O=C(Cl)c1nscc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride?
The InChIKey is MPEGXRBJMJPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNOS/c11-10(14)9-8(5-15-13-9)6-1-3-7(12)4-2-6/h1-5H.
What are the key properties of 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride?
4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride has a molecular weight of 241.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,2-thiazole-3-carbonyl chloride is sourced from PubChem (CID 175869898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).