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

• ChemBase ID: 844837
• Molecular Formular: C16H24N4O2S
• Molecular Mass: 336.45236
• Monoisotopic Mass: 336.16199703
• SMILES: c1(sc(nc1C)C(C)C)C(=O)N(Cc1nnc(o1)CC)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1sc(nc1C)C(C)C)C(C)C
• InChI: InChI=1S/C16H24N4O2S/c1-7-12-18-19-13(22-12)8-20(10(4)5)16(21)14-11(6)17-15(23-14)9(2)3/h9-10H,7-8H2,1-6H3
• InChIKey: XQPGYHQLRAFBSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9364363
• LogD (pH = 7.4): 1.9364896
• Log P: 1.9364903
• Molar Refractivity: 91.2561 cm^3
• Polarizability: 33.898964 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: 1.62
• LOG S: -3.03
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 6