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

HCID 59802438

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Basic information

CAS: 918341-84-1
Standard SMILES: O=C(O)c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIKey: XXPKPRWWCCGLHC-UHFFFAOYSA-N
Molecular formula: C11H6ClF3N2O2S
Average molar mass: 322.69 g/mol
Monoisotopic mass: 321.9790608

Names & identifiers

Preferred name: 2-[4-Chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
IUPAC: 2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid

Names & synonyms

2-[4-Chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid918341-84-1SCHEMBL4937005DTXSID00733003AKOS0191342702-(4-Chloro-3-trifluoromethyl-phenylamino)-thiazole-4-carboxylic acid

Database identifiers

CAS: 918341-84-1
PubChem CID: 59802438
DTXSID: DTXSID00733003

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 90.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 372

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