2,6-dichloro-4-(4-{1-[2-(2,6-dichlorophenyl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-yl)pyridine

• ChemBase ID: 86600
• Molecular Formular: C16H10Cl4N4S
• Molecular Mass: 432.1544
• Monoisotopic Mass: 429.93802806
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1/C(=N/Nc1c(cccc1Cl)Cl)/C
• Canonical SMILES: Clc1nc(Cl)cc(c1)c1scc(n1)/C(=N/Nc1c(Cl)cccc1Cl)/C
• InChI: InChI=1S/C16H10Cl4N4S/c1-8(23-24-15-10(17)3-2-4-11(15)18)12-7-25-16(21-12)9-5-13(19)22-14(20)6-9/h2-7,24H,1H3
• InChIKey: KCPAPQBDSHWSBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-(4-{1-[2-(2,6-dichlorophenyl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-yl)pyridine
• IUPAC Traditional name: 2,6-dichloro-4-(4-{1-[2-(2,6-dichlorophenyl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-yl)pyridine
• Synonyms: 1-[2-(2,6-dichloro-4-pyridyl)-1,3-thiazol-4-yl]ethan-1-one 1-(2,6-dichlorophenyl)hydrazone

Database IDs

• MDL Number: MFCD00203776
• PubChem SID: 162073716
• PubChem CID: 5917485

CALCULATED PROPERTIES

• Acid pKa: 12.586215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 6.3535585
• LogD (pH = 7.4): 6.3539047
• Log P: 6.354032
• Molar Refractivity: 117.3214 cm^3
• Polarizability: 40.355434 Å^3
• Polar Surface Area: 50.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false