2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

C11H6F3NO2S — CID 43333581

IUPAC2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)10(16)17/h1-5H,(H,16,17)
InChIKeyDSHZQLTWBMTKEW-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.53
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 43333581) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID43333581
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)10(16)17/h1-5H,(H,16,17)
InChIKeyDSHZQLTWBMTKEW-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

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Related Compounds

3-pyridin-4-yl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-2-en-1-one
CID 173040477
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
2,4-bis[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-3-one
CID 152700854
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 155949556
1-[2-(4-acetylphenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
CID 68512121
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone
CID 150749355
2-methyl-2-[2-methyl-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ylsulfanyl]phenoxy]propanoic acid
CID 10141498
6-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylic acid
CID 142727871
2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 151442239

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (CID 43333581) is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is DSHZQLTWBMTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)10(16)17/h1-5H,(H,16,17).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]-1,3-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 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43333581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).