3,4,5-trichloro-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

HCID 2575166

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Basic information

CAS: 794559-67-4
Standard SMILES: O=C(Nc1nccs1)c1ncc(Cl)c(Cl)c1Cl
InChIKey: IOASTLCWNWRUDM-UHFFFAOYSA-N
Molecular formula: C9H4Cl3N3OS
Average molar mass: 308.6 g/mol
Monoisotopic mass: 306.914066

Names & identifiers

Preferred name: 3,4,5-trichloro-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
IUPAC: 3,4,5-trichloro-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

Names & synonyms

3,4,5-trichloro-N-(1,3-thiazol-2-yl)pyridine-2-carboxamideMLS001175822CHEMBL1406683DTXSID301330394HMS2892J19AKOS034041909794559-67-4SMR000590296SR-01000060545SR-01000060545-1Z28174206

Database identifiers

CAS: 794559-67-4
PubChem CID: 2575166
DTXSID: DTXSID301330394
ChEMBL: CHEMBL1406683

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 297

Experimental & physicochemical properties

Solubility12.5 [ug/mL] (The mean of the results at pH 7.4)

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