5-cyclobutyl-N-({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-1,3,4-oxadiazol-2-amine

• ChemBase ID: 724659
• Molecular Formular: C14H17N5OS
• Molecular Mass: 303.38268
• Monoisotopic Mass: 303.11538119
• SMILES: c12n(c(c(s2)C)C)cc(n1)CNc1oc(nn1)C1CCC1
• Canonical SMILES: Cc1sc2n(c1C)cc(n2)CNc1nnc(o1)C1CCC1
• InChI: InChI=1S/C14H17N5OS/c1-8-9(2)21-14-16-11(7-19(8)14)6-15-13-18-17-12(20-13)10-4-3-5-10/h7,10H,3-6H2,1-2H3,(H,15,18)
• InChIKey: UUNHMXSMFZDMGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.700463
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8851409
• LogD (pH = 7.4): 1.9277165
• Log P: 1.9305154
• Molar Refractivity: 94.8424 cm^3
• Polarizability: 29.808325 Å^3
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.28
• LOG S: -4.07
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 4