2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine

• ChemBase ID: 96622
• Molecular Formular: C15H7Cl2F3N2S
• Molecular Mass: 375.1956896
• Monoisotopic Mass: 373.96590925
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1ccc(cc1)C(F)(F)F
• Canonical SMILES: FC(c1ccc(cc1)c1csc(n1)c1cc(Cl)nc(c1)Cl)(F)F
• InChI: InChI=1S/C15H7Cl2F3N2S/c16-12-5-9(6-13(17)22-12)14-21-11(7-23-14)8-1-3-10(4-2-8)15(18,19)20/h1-7H
• InChIKey: UNCMTAUONGQTFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine
• IUPAC Traditional name: 2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine
• Synonyms: 2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine

Database IDs

• MDL Number: MFCD01765059
• PubChem SID: 162083271
• PubChem CID: 2781818

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.998466
• LogD (pH = 7.4): 5.9985037
• Log P: 5.998504
• Molar Refractivity: 96.6812 cm^3
• Polarizability: 33.381737 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false