3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid

C11H6F3NO2S — CID 3067924

IUPAC3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ns1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
InChIKeyJBBMPBUPJGSYJG-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.53
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid

3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid (PubChem CID 3067924) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
PubChem CID3067924
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ns1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
InChIKeyJBBMPBUPJGSYJG-UHFFFAOYSA-N
XLogP3.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid 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 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid (CID 3067924) is 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ns1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid?
The InChIKey is JBBMPBUPJGSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid?
3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 3067924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).