1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-(1,3-thiazol-2-yl)piperazine

• ChemBase ID: 333234
• Molecular Formular: C18H18N4OS2
• Molecular Mass: 370.49172
• Monoisotopic Mass: 370.09220322
• SMILES: c1(nc(sc1)Cc1ccccc1)C(=O)N1CCN(c2nccs2)CC1
• Canonical SMILES: O=C(c1csc(n1)Cc1ccccc1)N1CCN(CC1)c1nccs1
• InChI: InChI=1S/C18H18N4OS2/c23-17(21-7-9-22(10-8-21)18-19-6-11-24-18)15-13-25-16(20-15)12-14-4-2-1-3-5-14/h1-6,11,13H,7-10,12H2
• InChIKey: VJPUEDZHLONFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3528254
• LogD (pH = 7.4): 3.3545465
• Log P: 3.3545685
• Molar Refractivity: 100.1591 cm^3
• Polarizability: 37.481087 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.9
• LOG S: -2.67
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4