1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-methyl-1H-imidazol-2-yl)piperidine

• ChemBase ID: 401770
• Molecular Formular: C14H20N4S
• Molecular Mass: 276.4004
• Monoisotopic Mass: 276.14086766
• SMILES: c1(C2CN(Cc3nc(sc3)C)CCC2)n(ccn1)C
• Canonical SMILES: Cc1scc(n1)CN1CCCC(C1)c1nccn1C
• InChI: InChI=1S/C14H20N4S/c1-11-16-13(10-19-11)9-18-6-3-4-12(8-18)14-15-5-7-17(14)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3
• InChIKey: QILBUBAOMYMIND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-methyl-1H-imidazol-2-yl)piperidine
• IUPAC Traditional name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine
• Synonyms: 3-(1-methyl-1H-imidazol-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0443716
• LogD (pH = 7.4): 0.9126258
• Log P: 1.4318523
• Molar Refractivity: 77.662 cm^3
• Polarizability: 29.799976 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.88
• LOG S: -0.96
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 3