methyl({[5-(oxan-2-yl)furan-2-yl]methyl})(1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 466513
• Molecular Formular: C15H20N2O2S
• Molecular Mass: 292.3965
• Monoisotopic Mass: 292.12454889
• SMILES: c1(oc(cc1)CN(Cc1nccs1)C)C1OCCCC1
• Canonical SMILES: CN(Cc1nccs1)Cc1ccc(o1)C1CCCCO1
• InChI: InChI=1S/C15H20N2O2S/c1-17(11-15-16-7-9-20-15)10-12-5-6-14(19-12)13-4-2-3-8-18-13/h5-7,9,13H,2-4,8,10-11H2,1H3
• InChIKey: VLLIKDWPOQKMIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(oxan-2-yl)furan-2-yl]methyl})(1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: methyl({[5-(oxan-2-yl)furan-2-yl]methyl})(1,3-thiazol-2-ylmethyl)amine
• Synonyms: N-methyl-1-[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3445263
• LogD (pH = 7.4): 2.1096263
• Log P: 2.1372325
• Molar Refractivity: 79.3964 cm^3
• Polarizability: 30.788933 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.86
• LOG S: -2.77
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5