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

• ChemBase ID: 694903
• Molecular Formular: C19H23N5S
• Molecular Mass: 353.48442
• Monoisotopic Mass: 353.16741676
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(Cc2c(nns2)C)CCC1
• Canonical SMILES: Cc1nnsc1CN1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C19H23N5S/c1-15-18(25-22-21-15)14-23-10-5-8-17(13-23)19-20-9-11-24(19)12-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-14H2,1H3
• InChIKey: SPOQAZXVDYIFCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.40575778
• LogD (pH = 7.4): 2.4534874
• Log P: 3.1455433
• Molar Refractivity: 101.8213 cm^3
• Polarizability: 38.543068 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.8
• LOG S: -3.16
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5