N-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine

• ChemBase ID: 753120
• Molecular Formular: C11H19N3S
• Molecular Mass: 225.35366
• Monoisotopic Mass: 225.12996862
• SMILES: n1c(scc1CC)CNC1CNCCC1
• Canonical SMILES: CCc1csc(n1)CNC1CCCNC1
• InChI: InChI=1S/C11H19N3S/c1-2-9-8-15-11(14-9)7-13-10-4-3-5-12-6-10/h8,10,12-13H,2-7H2,1H3
• InChIKey: LIPFMTLEXGTWHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
• IUPAC Traditional name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
• Synonyms: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.84
• LOG S: -1.41
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 4

JChem

• H Donor: 2
• LogD (pH = 5.5): -2.130736
• LogD (pH = 7.4): -0.878363
• Log P: 1.1966211
• Molar Refractivity: 62.9954 cm^3
• Polarizability: 25.072021 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3