({4-[(dimethylamino)methyl]thiophen-2-yl}methyl)(methyl)[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine

• ChemBase ID: 525017
• Molecular Formular: C14H22N4OS
• Molecular Mass: 294.41568
• Monoisotopic Mass: 294.15143234
• SMILES: c1(nc(no1)C)C(N(Cc1scc(c1)CN(C)C)C)C
• Canonical SMILES: CN(Cc1csc(c1)CN(C(c1onc(n1)C)C)C)C
• InChI: InChI=1S/C14H22N4OS/c1-10(14-15-11(2)16-19-14)18(5)8-13-6-12(9-20-13)7-17(3)4/h6,9-10H,7-8H2,1-5H3
• InChIKey: HZUVYTULSAQRSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-[(dimethylamino)methyl]thiophen-2-yl}methyl)(methyl)[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
• IUPAC Traditional name: ({4-[(dimethylamino)methyl]thiophen-2-yl}methyl)(methyl)[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
• Synonyms: ({4-[(dimethylamino)methyl]-2-thienyl}methyl)methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.25441
• LogD (pH = 7.4): 1.494977
• Log P: 2.4974182
• Molar Refractivity: 83.7073 cm^3
• Polarizability: 31.39069 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.63
• LOG S: -1.73
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6