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

C11H7F3N2O2S — CID 80570658

IUPAC2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)6-3-1-2-4-7(6)16-10-15-5-8(19-10)9(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyMSRODXOIFGMXKX-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.60
Rot. Bonds3

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

2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570658) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570658
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)6-3-1-2-4-7(6)16-10-15-5-8(19-10)9(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyMSRODXOIFGMXKX-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
bis[2-[2-(2-methylphenyl)-3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 161166254
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80572325
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
3-[4-hydroxy-2-[2-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propanoic acid
CID 91314073
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 80572716
methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
CID 107647034
methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 145489247

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid (CID 80570658) is 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2ccccc2C(F)(F)F)s1.
What is the InChIKey of 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MSRODXOIFGMXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c12-11(13,14)6-3-1-2-4-7(6)16-10-15-5-8(19-10)9(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid?
2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).