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

• ChemBase ID: 664545
• Molecular Formular: C19H23N5OS
• Molecular Mass: 369.48382
• Monoisotopic Mass: 369.16233138
• SMILES: s1c(nnc1c1ccccc1)N1CCC(c2n(ccn2)CCOC)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)c1nnc(s1)c1ccccc1
• InChI: InChI=1S/C19H23N5OS/c1-25-14-13-23-12-9-20-17(23)15-7-10-24(11-8-15)19-22-21-18(26-19)16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
• InChIKey: WDHFWDAOUYOXAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0651155
• LogD (pH = 7.4): 2.883161
• Log P: 3.0163534
• Molar Refractivity: 115.5246 cm^3
• Polarizability: 39.59686 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: 4
• H Donor: 0
• Log P: 2.25
• LOG S: -3.81
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 6