2-{1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 839828
• Molecular Formular: C15H16N4S
• Molecular Mass: 284.37934
• Monoisotopic Mass: 284.10956753
• SMILES: c1(n(ccn1)CCCc1c(ncs1)C)c1ncccc1
• Canonical SMILES: Cc1ncsc1CCCn1ccnc1c1ccccn1
• InChI: InChI=1S/C15H16N4S/c1-12-14(20-11-18-12)6-4-9-19-10-8-17-15(19)13-5-2-3-7-16-13/h2-3,5,7-8,10-11H,4,6,9H2,1H3
• InChIKey: GTAUZKYZHCMFQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 2-{1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl}pyridine
• Synonyms: 2-{1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6479347
• LogD (pH = 7.4): 2.6516578
• Log P: 2.6517053
• Molar Refractivity: 90.1888 cm^3
• Polarizability: 31.00461 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.73
• LOG S: -2.75
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 5