4-methyl-5-(2-{2-[2-methyl-4-(1H-pyrazol-1-yl)phenyl]-1H-imidazol-1-yl}ethyl)-1,3-thiazole

• ChemBase ID: 649256
• Molecular Formular: C19H19N5S
• Molecular Mass: 349.45266
• Monoisotopic Mass: 349.13611663
• SMILES: c1(n(ccn1)CCc1c(ncs1)C)c1c(cc(n2nccc2)cc1)C
• Canonical SMILES: Cc1cc(ccc1c1nccn1CCc1scnc1C)n1cccn1
• InChI: InChI=1S/C19H19N5S/c1-14-12-16(24-9-3-7-22-24)4-5-17(14)19-20-8-11-23(19)10-6-18-15(2)21-13-25-18/h3-5,7-9,11-13H,6,10H2,1-2H3
• InChIKey: UCVMROSRBNDNGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9766014
• LogD (pH = 7.4): 3.6101794
• Log P: 3.6381986
• Molar Refractivity: 111.476 cm^3
• Polarizability: 38.89337 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: 2.73
• LOG S: -4.08
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5