5-{1-[3-(1H-imidazol-1-yl)propyl]-1H-imidazol-2-yl}-2,4-dimethyl-1,3-thiazole

• ChemBase ID: 864364
• Molecular Formular: C14H17N5S
• Molecular Mass: 287.38328
• Monoisotopic Mass: 287.12046657
• SMILES: c1(c2n(ccn2)CCCn2cncc2)c(nc(s1)C)C
• Canonical SMILES: Cc1nc(c(s1)c1nccn1CCCn1cncc1)C
• InChI: InChI=1S/C14H17N5S/c1-11-13(20-12(2)17-11)14-16-5-9-19(14)7-3-6-18-8-4-15-10-18/h4-5,8-10H,3,6-7H2,1-2H3
• InChIKey: FRYNXGUASJVLFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2415867
• LogD (pH = 7.4): 0.9079
• Log P: 0.9800425
• Molar Refractivity: 89.8417 cm^3
• Polarizability: 30.493647 Å^3
• Polar Surface Area: 48.53 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: 0.94
• LOG S: -2.1
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5