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

• ChemBase ID: 679580
• Molecular Formular: C17H30N4OS
• Molecular Mass: 338.5113
• Monoisotopic Mass: 338.2140326
• SMILES: c1(ncc(s1)CN1CCC(C(N2CCOCC2)C)CC1)N(C)C
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)Cc1cnc(s1)N(C)C
• InChI: InChI=1S/C17H30N4OS/c1-14(21-8-10-22-11-9-21)15-4-6-20(7-5-15)13-16-12-18-17(23-16)19(2)3/h12,14-15H,4-11,13H2,1-3H3
• InChIKey: YYRMOADFWYCKGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.04536
• LogD (pH = 7.4): 0.38213757
• Log P: 2.18365
• Molar Refractivity: 97.2575 cm^3
• Polarizability: 37.30472 Å^3
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.64
• LOG S: -1.21
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 5