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

• ChemBase ID: 532907
• Molecular Formular: C19H28N4S
• Molecular Mass: 344.51742
• Monoisotopic Mass: 344.20346792
• SMILES: c1(sc(nc1CC)C)CN(C1CCN(CC1)C)Cc1ccncc1
• Canonical SMILES: CCc1nc(sc1CN(C1CCN(CC1)C)Cc1ccncc1)C
• InChI: InChI=1S/C19H28N4S/c1-4-18-19(24-15(2)21-18)14-23(13-16-5-9-20-10-6-16)17-7-11-22(3)12-8-17/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3
• InChIKey: XIOFPDZGYGAPIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2303863
• LogD (pH = 7.4): 0.33522505
• Log P: 2.1944523
• Molar Refractivity: 101.1591 cm^3
• Polarizability: 39.210903 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.82
• LOG S: -1.81
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6