2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid

C11H5BrF3NO2S — CID 114026517

IUPAC2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
SMILESO=C(O)c1cc(-c2cnc(C(F)(F)F)s2)ccc1Br
InChIInChI=1S/C11H5BrF3NO2S/c12-7-2-1-5(3-6(7)9(17)18)8-4-16-10(19-8)11(13,14)15/h1-4H,(H,17,18)
InChIKeyJISJXEQWVBFXAV-UHFFFAOYSA-N
MW352.13 g/mol
LogP4.29
Rot. Bonds2

About 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid

2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid (PubChem CID 114026517) has the molecular formula C11H5BrF3NO2S and a molecular weight of 352.13 g/mol. Its IUPAC name is 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
PubChem CID114026517
Molecular FormulaC11H5BrF3NO2S
Molecular Weight352.13 g/mol
Exact Mass350.92
IUPAC Name2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
SMILESO=C(O)c1cc(-c2cnc(C(F)(F)F)s2)ccc1Br
InChIInChI=1S/C11H5BrF3NO2S/c12-7-2-1-5(3-6(7)9(17)18)8-4-16-10(19-8)11(13,14)15/h1-4H,(H,17,18)
InChIKeyJISJXEQWVBFXAV-UHFFFAOYSA-N
XLogP4.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785011
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
2-bromo-5-(difluoromethyl)benzoic acid
CID 84707310
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784270
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
2-bromo-5-[4-(trifluoromethyl)anilino]benzoic acid
CID 115296056
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
2-bromo-5-(2,2,2-trifluoroethoxymethylsulfanyl)benzoic acid
CID 106704481
4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 142384374
2-bromo-5-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]benzoic acid
CID 156849580
2-bromo-5-(dihydroxymethyl)benzoic acid
CID 91427555

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid?
The IUPAC name of 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid (CID 114026517) is 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid?
The canonical SMILES for 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid is O=C(O)c1cc(-c2cnc(C(F)(F)F)s2)ccc1Br.
What is the InChIKey of 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid?
The InChIKey is JISJXEQWVBFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3NO2S/c12-7-2-1-5(3-6(7)9(17)18)8-4-16-10(19-8)11(13,14)15/h1-4H,(H,17,18).
What are the key properties of 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid?
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid has a molecular weight of 352.13 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid is sourced from PubChem (CID 114026517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).