3-(1-benzyl-1H-imidazol-2-yl)-1-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]piperidine

• ChemBase ID: 682872
• Molecular Formular: C19H23N5OS
• Molecular Mass: 369.48382
• Monoisotopic Mass: 369.16233138
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(Cc2sc(nn2)OC)CCC1
• Canonical SMILES: COc1nnc(s1)CN1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C19H23N5OS/c1-25-19-22-21-17(26-19)14-23-10-5-8-16(13-23)18-20-9-11-24(18)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,16H,5,8,10,12-14H2,1H3
• InChIKey: RXQOMMLEPKZOGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.91272426
• LogD (pH = 7.4): 2.505249
• Log P: 2.6677873
• Molar Refractivity: 103.7424 cm^3
• Polarizability: 39.315407 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.19
• LOG S: -3.61
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 6