N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-(propan-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 703646
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: c1(nc(sc1)C(C)C)C(=O)N(Cc1nc(on1)C1CC1)CC
• Canonical SMILES: CCN(C(=O)c1csc(n1)C(C)C)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C15H20N4O2S/c1-4-19(7-12-17-13(21-18-12)10-5-6-10)15(20)11-8-22-14(16-11)9(2)3/h8-10H,4-7H2,1-3H3
• InChIKey: HDBDNUOLKRAFBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-(propan-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-isopropyl-1,3-thiazole-4-carboxamide
• Synonyms: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-isopropyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8766124
• LogD (pH = 7.4): 2.876614
• Log P: 2.876614
• Molar Refractivity: 84.7362 cm^3
• Polarizability: 31.434101 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.77
• LOG S: -3.07
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4