methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl][(2E)-2-methyl-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 408038
• Molecular Formular: C15H19N3S
• Molecular Mass: 273.39646
• Monoisotopic Mass: 273.12996862
• SMILES: c1(c(nns1)C)CN(C/C(=C/c1ccccc1)/C)C
• Canonical SMILES: CN(Cc1snnc1C)C/C(=C/c1ccccc1)/C
• InChI: InChI=1S/C15H19N3S/c1-12(9-14-7-5-4-6-8-14)10-18(3)11-15-13(2)16-17-19-15/h4-9H,10-11H2,1-3H3/b12-9+
• InChIKey: CKWXBJZFEUAQFP-FMIVXFBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl][(2E)-2-methyl-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl][(2E)-2-methyl-3-phenylprop-2-en-1-yl]amine
• Synonyms: (2E)-N,2-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6771129
• LogD (pH = 7.4): 3.145854
• Log P: 3.34494
• Molar Refractivity: 82.4875 cm^3
• Polarizability: 31.017176 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -2.64
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5