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

• ChemBase ID: 530927
• Molecular Formular: C16H23N5O2S
• Molecular Mass: 349.45112
• Monoisotopic Mass: 349.157246
• SMILES: c1(sc(nc1C)C(C)C)C(=O)N1CCN(Cc2nc(on2)C)CC1
• Canonical SMILES: Cc1onc(n1)CN1CCN(CC1)C(=O)c1sc(nc1C)C(C)C
• InChI: InChI=1S/C16H23N5O2S/c1-10(2)15-17-11(3)14(24-15)16(22)21-7-5-20(6-8-21)9-13-18-12(4)23-19-13/h10H,5-9H2,1-4H3
• InChIKey: FPVCBFQABPIYSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6179141
• LogD (pH = 7.4): 1.626081
• Log P: 1.6261861
• Molar Refractivity: 93.3861 cm^3
• Polarizability: 34.715977 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.6
• LOG S: -2.26
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4