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

• ChemBase ID: 86363
• Molecular Formular: C16H12Cl2N2S
• Molecular Mass: 335.25088
• Monoisotopic Mass: 334.00982475
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1c(cc(cc1)C)C
• Canonical SMILES: Cc1ccc(c(c1)C)c1csc(n1)c1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C16H12Cl2N2S/c1-9-3-4-12(10(2)5-9)13-8-21-16(19-13)11-6-14(17)20-15(18)7-11/h3-8H,1-2H3
• InChIKey: XNDMBUSFCTVCKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01765048
• PubChem SID: 162073479
• PubChem CID: 2798609

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1474605
• LogD (pH = 7.4): 6.147498
• Log P: 6.1474986
• Molar Refractivity: 100.7899 cm^3
• Polarizability: 35.819508 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false