2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid

C11H6ClF3N2O2S — CID 59802438

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6ClF3N2O2S/c12-7-2-1-5(3-6(7)11(13,14)15)16-10-17-8(4-20-10)9(18)19/h1-4H,(H,16,17)(H,18,19)
InChIKeyXXPKPRWWCCGLHC-UHFFFAOYSA-N
MW322.70 g/mol
LogP4.26
Rot. Bonds3

About 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid

2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid (PubChem CID 59802438) has the molecular formula C11H6ClF3N2O2S and a molecular weight of 322.70 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
PubChem CID59802438
Molecular FormulaC11H6ClF3N2O2S
Molecular Weight322.70 g/mol
Exact Mass321.98
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6ClF3N2O2S/c12-7-2-1-5(3-6(7)11(13,14)15)16-10-17-8(4-20-10)9(18)19/h1-4H,(H,16,17)(H,18,19)
InChIKeyXXPKPRWWCCGLHC-UHFFFAOYSA-N
XLogP4.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59802435
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide
CID 89390536
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
2-(3-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 104781916
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
2-[4-chloro-N-[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]-3-(trifluoromethyl)anilino]-2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 87750032
2-(1,3-benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107806763

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid (CID 59802438) is 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XXPKPRWWCCGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2S/c12-7-2-1-5(3-6(7)11(13,14)15)16-10-17-8(4-20-10)9(18)19/h1-4H,(H,16,17)(H,18,19).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid?
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).