5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole

• ChemBase ID: 434074
• Molecular Formular: C17H20N2O2S
• Molecular Mass: 316.4179
• Monoisotopic Mass: 316.12454889
• SMILES: c1(C(=O)N2CC(C2)Oc2c(CC)cccc2)c(nc(s1)C)C
• Canonical SMILES: CCc1ccccc1OC1CN(C1)C(=O)c1sc(nc1C)C
• InChI: InChI=1S/C17H20N2O2S/c1-4-13-7-5-6-8-15(13)21-14-9-19(10-14)17(20)16-11(2)18-12(3)22-16/h5-8,14H,4,9-10H2,1-3H3
• InChIKey: URHFFLROSDZAFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole
• IUPAC Traditional name: 5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole
• Synonyms: 5-{[3-(2-ethylphenoxy)-1-azetidinyl]carbonyl}-2,4-dimethyl-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8070984
• LogD (pH = 7.4): 2.8071861
• Log P: 2.807187
• Molar Refractivity: 86.8501 cm^3
• Polarizability: 33.15954 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.06
• LOG S: -3.27
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4