N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-3-amine

• ChemBase ID: 331147
• Molecular Formular: C12H21N3S
• Molecular Mass: 239.38024
• Monoisotopic Mass: 239.14561869
• SMILES: n1c(c(sc1)CCN(C1CNCCC1)C)C
• Canonical SMILES: CN(C1CCCNC1)CCc1scnc1C
• InChI: InChI=1S/C12H21N3S/c1-10-12(16-9-14-10)5-7-15(2)11-4-3-6-13-8-11/h9,11,13H,3-8H2,1-2H3
• InChIKey: FNBAWZOKICBZNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-3-amine
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-3-amine
• Synonyms: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0929623
• LogD (pH = 7.4): -1.2832087
• Log P: 1.2270672
• Molar Refractivity: 68.9857 cm^3
• Polarizability: 26.832766 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.9
• LOG S: -0.71
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4