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

• ChemBase ID: 392008
• Molecular Formular: C17H19N3O2S
• Molecular Mass: 329.41666
• Monoisotopic Mass: 329.11979786
• SMILES: c1(c2c(c(OC)ccc2)OC)n(ccn1)CCc1c(ncs1)C
• Canonical SMILES: COc1c(OC)cccc1c1nccn1CCc1scnc1C
• InChI: InChI=1S/C17H19N3O2S/c1-12-15(23-11-19-12)7-9-20-10-8-18-17(20)13-5-4-6-14(21-2)16(13)22-3/h4-6,8,10-11H,7,9H2,1-3H3
• InChIKey: PYTNFTMBNQBLOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3059359
• LogD (pH = 7.4): 2.7134235
• Log P: 2.7236164
• Molar Refractivity: 100.9995 cm^3
• Polarizability: 35.098522 Å^3
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.18
• LOG S: -3.46
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6