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

• ChemBase ID: 86364
• Molecular Formular: C14H6Cl4N2S
• Molecular Mass: 376.08784
• Monoisotopic Mass: 373.90057992
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1cc(c(cc1)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)cc(c1)c1scc(n1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C14H6Cl4N2S/c15-9-2-1-7(3-10(9)16)11-6-21-14(19-11)8-4-12(17)20-13(18)5-8/h1-6H
• InChIKey: GXEOOYHBYZQPKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01765050
• PubChem SID: 162073480
• PubChem CID: 2798610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.328707
• LogD (pH = 7.4): 6.328745
• Log P: 6.3287454
• Molar Refractivity: 100.3171 cm^3
• Polarizability: 36.104454 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false