[1-(dimethyl-1,3-thiazol-4-yl)ethyl]({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl})methylamine

• ChemBase ID: 719521
• Molecular Formular: C15H18N4O2S
• Molecular Mass: 318.39402
• Monoisotopic Mass: 318.11504684
• SMILES: c1(nc(sc1C)C)C(N(Cc1nc(no1)c1occc1)C)C
• Canonical SMILES: CN(C(c1nc(sc1C)C)C)Cc1onc(n1)c1ccco1
• InChI: InChI=1S/C15H18N4O2S/c1-9(14-10(2)22-11(3)16-14)19(4)8-13-17-15(18-21-13)12-6-5-7-20-12/h5-7,9H,8H2,1-4H3
• InChIKey: MWQBJYDGAFGWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(dimethyl-1,3-thiazol-4-yl)ethyl]({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• IUPAC Traditional name: [1-(dimethyl-1,3-thiazol-4-yl)ethyl]({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• Synonyms: 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7005725
• LogD (pH = 7.4): 3.1671526
• Log P: 3.1779685
• Molar Refractivity: 95.6355 cm^3
• Polarizability: 32.413544 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.83
• LOG S: -2.93
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5