2,6-dichloro-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyridine

• ChemBase ID: 96621
• Molecular Formular: C14H7Cl2FN2S
• Molecular Mass: 325.1881832
• Monoisotopic Mass: 323.96910281
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)c1csc(n1)c1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C14H7Cl2FN2S/c15-12-5-9(6-13(16)19-12)14-18-11(7-20-14)8-2-1-3-10(17)4-8/h1-7H
• InChIKey: KIZVQSOSORWEHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01765057
• PubChem SID: 162083270
• PubChem CID: 2781816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.26332
• LogD (pH = 7.4): 5.263357
• Log P: 5.2633576
• Molar Refractivity: 90.9239 cm^3
• Polarizability: 31.972103 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false