N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

• ChemBase ID: 851891
• Molecular Formular: C14H18N4OS
• Molecular Mass: 290.38392
• Monoisotopic Mass: 290.12013222
• SMILES: c12nc(sc1CCCC2Nc1oc(nn1)C1CCC1)C
• Canonical SMILES: Cc1sc2c(n1)C(CCC2)Nc1nnc(o1)C1CCC1
• InChI: InChI=1S/C14H18N4OS/c1-8-15-12-10(6-3-7-11(12)20-8)16-14-18-17-13(19-14)9-4-2-5-9/h9-10H,2-7H2,1H3,(H,16,18)
• InChIKey: UJFADJLKZGPBJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
• IUPAC Traditional name: N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
• Synonyms: N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.041167
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3175263
• LogD (pH = 7.4): 2.310981
• Log P: 2.3203673
• Molar Refractivity: 79.0261 cm^3
• Polarizability: 28.883322 Å^3
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.2
• LOG S: -4.15
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 3