2-({2-[1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 633146
• Molecular Formular: C19H24N6S
• Molecular Mass: 368.49906
• Monoisotopic Mass: 368.1783158
• SMILES: c1(sc(nn1)CCC)N1CC(c2n(ccn2)Cc2ncccc2)CCC1
• Canonical SMILES: CCCc1nnc(s1)N1CCCC(C1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C19H24N6S/c1-2-6-17-22-23-19(26-17)25-11-5-7-15(13-25)18-21-10-12-24(18)14-16-8-3-4-9-20-16/h3-4,8-10,12,15H,2,5-7,11,13-14H2,1H3
• InChIKey: WRNDYRQSUQEJPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 2-({2-[1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl}methyl)pyridine
• Synonyms: 2-({2-[1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-piperidinyl]-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0368657
• LogD (pH = 7.4): 2.9476438
• Log P: 3.050908
• Molar Refractivity: 104.8276 cm^3
• Polarizability: 39.092255 Å^3
• Polar Surface Area: 59.73 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: 1.44
• LOG S: -1.82
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 6