2-chloro-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(pyridin-2-ylsulfanyl)pyridine

• ChemBase ID: 86701
• Molecular Formular: C19H11Cl2N3S2
• Molecular Mass: 416.34674
• Monoisotopic Mass: 414.97714473
• SMILES: n1c(c2cc(nc(c2)Sc2ncccc2)Cl)scc1c1ccc(cc1)Cl
• Canonical SMILES: Clc1nc(Sc2ccccn2)cc(c1)c1scc(n1)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H11Cl2N3S2/c20-14-6-4-12(5-7-14)15-11-25-19(23-15)13-9-16(21)24-18(10-13)26-17-3-1-2-8-22-17/h1-11H
• InChIKey: ARNYKGAZNOAANB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(pyridin-2-ylsulfanyl)pyridine
• IUPAC Traditional name: 2-chloro-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(pyridin-2-ylsulfanyl)pyridine
• Synonyms: 4-(4-chlorophenyl)-2-[2-chloro-6-(2-pyridylthio)-4-pyridyl]-1,3-thiazole

Database IDs

• MDL Number: MFCD00221355
• PubChem SID: 162073817
• PubChem CID: 2799939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.0601377
• LogD (pH = 7.4): 7.060467
• Log P: 7.0604706
• Molar Refractivity: 120.8004 cm^3
• Polarizability: 43.980324 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false