N-methyl-4-{2-[2-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}-1,3-thiazol-2-amine

• ChemBase ID: 757633
• Molecular Formular: C16H26N4O2S
• Molecular Mass: 338.46824
• Monoisotopic Mass: 338.17764709
• SMILES: c1(C(=O)N2C(CCN3CCOCC3)CCCC2)nc(sc1)NC
• Canonical SMILES: CNc1scc(n1)C(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C16H26N4O2S/c1-17-16-18-14(12-23-16)15(21)20-6-3-2-4-13(20)5-7-19-8-10-22-11-9-19/h12-13H,2-11H2,1H3,(H,17,18)
• InChIKey: YNHISCJKLNDJMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.207617
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.2787605
• LogD (pH = 7.4): 1.0938567
• Log P: 1.2431465
• Molar Refractivity: 93.2045 cm^3
• Polarizability: 34.986404 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.5
• LOG S: -2.55
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5