N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-methylacetamide

• ChemBase ID: 726828
• Molecular Formular: C17H26N4OS
• Molecular Mass: 334.47954
• Monoisotopic Mass: 334.18273247
• SMILES: n1(nc(c(c1C)CC)C)CC(=O)N(C(c1nc(sc1C)C)C)C
• Canonical SMILES: CCc1c(C)nn(c1C)CC(=O)N(C(c1nc(sc1C)C)C)C
• InChI: InChI=1S/C17H26N4OS/c1-8-15-10(2)19-21(11(15)3)9-16(22)20(7)12(4)17-13(5)23-14(6)18-17/h12H,8-9H2,1-7H3
• InChIKey: ODRNYFCIAIRQMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-methylacetamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6054156
• LogD (pH = 7.4): 2.6107793
• Log P: 2.6108477
• Molar Refractivity: 105.3347 cm^3
• Polarizability: 35.58255 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.82
• LOG S: -4.05
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5