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

• ChemBase ID: 499855
• Molecular Formular: C15H22N4OS
• Molecular Mass: 306.42638
• Monoisotopic Mass: 306.15143234
• SMILES: c1(C2CN(Cc3nccs3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)Cc1nccs1
• InChI: InChI=1S/C15H22N4OS/c1-20-9-8-19-7-4-17-15(19)13-3-2-6-18(11-13)12-14-16-5-10-21-14/h4-5,7,10,13H,2-3,6,8-9,11-12H2,1H3
• InChIKey: XKPHYXHJNJWXTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3931404
• LogD (pH = 7.4): 0.7876165
• Log P: 1.2535067
• Molar Refractivity: 84.114 cm^3
• Polarizability: 32.429214 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: 1.72
• LOG S: -1.9
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6