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

C11H6F3NO3S — CID 106510431

IUPAC5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H6F3NO3S/c12-11(13,14)18-7-3-1-6(2-4-7)9-8(10(16)17)15-5-19-9/h1-5H,(H,16,17)
InChIKeyVUFZKRWJEVDRFC-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.41
Rot. Bonds3

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

5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106510431) has the molecular formula C11H6F3NO3S and a molecular weight of 289.23 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106510431
Molecular FormulaC11H6F3NO3S
Molecular Weight289.23 g/mol
Exact Mass289.00
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H6F3NO3S/c12-11(13,14)18-7-3-1-6(2-4-7)9-8(10(16)17)15-5-19-9/h1-5H,(H,16,17)
InChIKeyVUFZKRWJEVDRFC-UHFFFAOYSA-N
XLogP3.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
CID 64630070
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
5-[4-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 57279552
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole-3-carboxylic acid
CID 22229256
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 106510431) is 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VUFZKRWJEVDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3S/c12-11(13,14)18-7-3-1-6(2-4-7)9-8(10(16)17)15-5-19-9/h1-5H,(H,16,17).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 289.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).