4-{[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl}-N-methyl-1,3-thiazol-2-amine

• ChemBase ID: 659693
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: n1c(scc1CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1)NC
• Canonical SMILES: CNc1scc(n1)CN1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C20H23N3O2S/c1-21-20-22-17(13-26-20)11-23-7-8-25-19(12-23)16-4-3-15-10-18(24-2)6-5-14(15)9-16/h3-6,9-10,13,19H,7-8,11-12H2,1-2H3,(H,21,22)
• InChIKey: RUWJNSKCGKAAGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl}-N-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-{[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl}-N-methyl-1,3-thiazol-2-amine
• Synonyms: 4-{[2-(6-methoxy-2-naphthyl)morpholin-4-yl]methyl}-N-methyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.687544
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.659483
• LogD (pH = 7.4): 3.195755
• Log P: 3.2094805
• Molar Refractivity: 105.2247 cm^3
• Polarizability: 41.37786 Å^3
• Polar Surface Area: 46.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.68
• LOG S: -3.17
• Polar Surface Area: 46.62 Å^2
• Rotatable Bonds: 5