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

• ChemBase ID: 86366
• Molecular Formular: C15H10Cl2N2S
• Molecular Mass: 321.2243
• Monoisotopic Mass: 319.99417469
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1csc(n1)c1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C15H10Cl2N2S/c1-9-2-4-10(5-3-9)12-8-20-15(18-12)11-6-13(16)19-14(17)7-11/h2-8H,1H3
• InChIKey: ZXOLFCPDAPGKCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01765052
• PubChem SID: 162073482
• PubChem CID: 2798615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6340384
• LogD (pH = 7.4): 5.6340766
• Log P: 5.634077
• Molar Refractivity: 95.7487 cm^3
• Polarizability: 34.055237 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false