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

• ChemBase ID: 649878
• Molecular Formular: C14H14N4S
• Molecular Mass: 270.35276
• Monoisotopic Mass: 270.09391747
• SMILES: c1(n(ccn1)CCc1c(ncs1)C)c1ccncc1
• Canonical SMILES: Cc1ncsc1CCn1ccnc1c1ccncc1
• InChI: InChI=1S/C14H14N4S/c1-11-13(19-10-17-11)4-8-18-9-7-16-14(18)12-2-5-15-6-3-12/h2-3,5-7,9-10H,4,8H2,1H3
• InChIKey: SUICGHGFFJFGBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.243656
• LogD (pH = 7.4): 1.8025441
• Log P: 1.8212863
• Molar Refractivity: 85.9162 cm^3
• Polarizability: 29.155071 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.11
• LOG S: -2.12
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4