4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1,3-thiazol-4-ylmethyl)piperidine

• ChemBase ID: 864266
• Molecular Formular: C15H22N4OS
• Molecular Mass: 306.42638
• Monoisotopic Mass: 306.15143234
• SMILES: c1(n(ccn1)CCOC)C1CCN(Cc2ncsc2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)Cc1cscn1
• InChI: InChI=1S/C15H22N4OS/c1-20-9-8-19-7-4-16-15(19)13-2-5-18(6-3-13)10-14-11-21-12-17-14/h4,7,11-13H,2-3,5-6,8-10H2,1H3
• InChIKey: LQZQSYCJBKULRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1,3-thiazol-4-ylmethyl)piperidine
• IUPAC Traditional name: 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(1,3-thiazol-4-ylmethyl)piperidine
• Synonyms: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1,3-thiazol-4-ylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3995317
• LogD (pH = 7.4): 0.79456455
• Log P: 1.1059047
• Molar Refractivity: 84.4188 cm^3
• Polarizability: 32.427013 Å^3
• Polar Surface Area: 43.18 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: 0.13
• LOG S: -0.54
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6