N,4-dimethyl-N-{[1-(propan-2-yl)piperidin-3-yl]methyl}-1,3-thiazol-2-amine

• ChemBase ID: 562559
• Molecular Formular: C14H25N3S
• Molecular Mass: 267.4334
• Monoisotopic Mass: 267.17691882
• SMILES: c1(nc(cs1)C)N(CC1CN(C(C)C)CCC1)C
• Canonical SMILES: CC(N1CCCC(C1)CN(c1scc(n1)C)C)C
• InChI: InChI=1S/C14H25N3S/c1-11(2)17-7-5-6-13(9-17)8-16(4)14-15-12(3)10-18-14/h10-11,13H,5-9H2,1-4H3
• InChIKey: ZRKLFKCQBKHGFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-N-{[1-(propan-2-yl)piperidin-3-yl]methyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: N-[(1-isopropylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
• Synonyms: N-[(1-isopropylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4150427
• LogD (pH = 7.4): 1.0984651
• Log P: 2.8580492
• Molar Refractivity: 79.0975 cm^3
• Polarizability: 30.201506 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.71
• LOG S: -3.87
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4