1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine

• ChemBase ID: 362762
• Molecular Formular: C15H21N5O2S
• Molecular Mass: 335.42454
• Monoisotopic Mass: 335.14159594
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCN(Cc2nc(on2)C)CC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCN(CC1)Cc1noc(n1)C
• InChI: InChI=1S/C15H21N5O2S/c1-3-4-14-17-12(10-23-14)15(21)20-7-5-19(6-8-20)9-13-16-11(2)22-18-13/h10H,3-9H2,1-2H3
• InChIKey: LXNWQLIFTHYBBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine
• IUPAC Traditional name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine
• Synonyms: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5101637
• LogD (pH = 7.4): 1.5223942
• Log P: 1.5225524
• Molar Refractivity: 88.665 cm^3
• Polarizability: 32.963696 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.33
• LOG S: -3.24
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 5