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

C11H7F3N2O3S — CID 64630070

IUPAC5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)19-7-3-1-6(2-4-7)16-9-8(10(17)18)15-5-20-9/h1-5,16H,(H,17,18)
InChIKeyVJVAYWJFEDUSMB-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.48
Rot. Bonds4

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

5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid (PubChem CID 64630070) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
PubChem CID64630070
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)19-7-3-1-6(2-4-7)16-9-8(10(17)18)15-5-20-9/h1-5,16H,(H,17,18)
InChIKeyVJVAYWJFEDUSMB-UHFFFAOYSA-N
XLogP3.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 62070801
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid (CID 64630070) is 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VJVAYWJFEDUSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c12-11(13,14)19-7-3-1-6(2-4-7)16-9-8(10(17)18)15-5-20-9/h1-5,16H,(H,17,18).
What are the key properties of 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid?
5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).