N-ethyl-N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

• ChemBase ID: 564927
• Molecular Formular: C12H20N2O2S
• Molecular Mass: 256.3644
• Monoisotopic Mass: 256.12454889
• SMILES: n1c(c(sc1)CCC(=O)N(CCOC)CC)C
• Canonical SMILES: COCCN(C(=O)CCc1scnc1C)CC
• InChI: InChI=1S/C12H20N2O2S/c1-4-14(7-8-16-3)12(15)6-5-11-10(2)13-9-17-11/h9H,4-8H2,1-3H3
• InChIKey: KPIKINLAZZBFBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• IUPAC Traditional name: N-ethyl-N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• Synonyms: N-ethyl-N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.92807376
• LogD (pH = 7.4): 0.9284029
• Log P: 0.92840713
• Molar Refractivity: 69.1123 cm^3
• Polarizability: 26.52505 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.99
• LOG S: -1.92
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7