(2,1,3-benzoxadiazol-5-ylmethyl)(methyl){[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}amine

• ChemBase ID: 404096
• Molecular Formular: C16H19N5O2S
• Molecular Mass: 345.41936
• Monoisotopic Mass: 345.12594587
• SMILES: c1(ncc(s1)CN(Cc1cc2c(non2)cc1)C)N1CCOCC1
• Canonical SMILES: CN(Cc1cnc(s1)N1CCOCC1)Cc1ccc2c(c1)non2
• InChI: InChI=1S/C16H19N5O2S/c1-20(10-12-2-3-14-15(8-12)19-23-18-14)11-13-9-17-16(24-13)21-4-6-22-7-5-21/h2-3,8-9H,4-7,10-11H2,1H3
• InChIKey: COIWWGYERMQKTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,1,3-benzoxadiazol-5-ylmethyl)(methyl){[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}amine
• IUPAC Traditional name: (2,1,3-benzoxadiazol-5-ylmethyl)(methyl){[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}amine
• Synonyms: (2,1,3-benzoxadiazol-5-ylmethyl)methyl[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.26758167
• LogD (pH = 7.4): 1.9418833
• Log P: 2.354164
• Molar Refractivity: 93.259 cm^3
• Polarizability: 35.86604 Å^3
• Polar Surface Area: 67.52 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: 0.86
• LOG S: -1.45
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 5