2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole

C10H8FNO2S2 — CID 151020794

IUPAC2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nccs2)cc1F
InChIInChI=1S/C10H8FNO2S2/c1-16(13,14)9-3-2-7(6-8(9)11)10-12-4-5-15-10/h2-6H,1H3
InChIKeyLYAJTZKLHVAIOM-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.35
Rot. Bonds2

About 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole

2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 151020794) has the molecular formula C10H8FNO2S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID151020794
Molecular FormulaC10H8FNO2S2
Molecular Weight257.31 g/mol
Exact Mass257.00
IUPAC Name2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nccs2)cc1F
InChIInChI=1S/C10H8FNO2S2/c1-16(13,14)9-3-2-7(6-8(9)11)10-12-4-5-15-10/h2-6H,1H3
InChIKeyLYAJTZKLHVAIOM-UHFFFAOYSA-N
XLogP2.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole 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 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole (CID 151020794) is 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2nccs2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is LYAJTZKLHVAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S2/c1-16(13,14)9-3-2-7(6-8(9)11)10-12-4-5-15-10/h2-6H,1H3.
What are the key properties of 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole?
2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 257.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 151020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).