N-methyl-3-(1,2-oxazinan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide

• ChemBase ID: 556560
• Molecular Formular: C13H21N3O2S
• Molecular Mass: 283.38974
• Monoisotopic Mass: 283.13544793
• SMILES: c1(nccs1)C(N(C(=O)CCN1OCCCC1)C)C
• Canonical SMILES: O=C(N(C(c1nccs1)C)C)CCN1CCCCO1
• InChI: InChI=1S/C13H21N3O2S/c1-11(13-14-6-10-19-13)15(2)12(17)5-8-16-7-3-4-9-18-16/h6,10-11H,3-5,7-9H2,1-2H3
• InChIKey: ITIJYZKGNMOULE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(1,2-oxazinan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
• IUPAC Traditional name: N-methyl-3-(1,2-oxazinan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
• Synonyms: N-methyl-3-(1,2-oxazinan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.58898515
• LogD (pH = 7.4): 0.58962595
• Log P: 0.5896341
• Molar Refractivity: 74.5228 cm^3
• Polarizability: 29.252407 Å^3
• Polar Surface Area: 45.67 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: 0.93
• LOG S: -2.06
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5