N,4-dimethyl-5-{2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine-1-carbonyl}-1,3-thiazol-2-amine

• ChemBase ID: 524825
• Molecular Formular: C17H25N5OS
• Molecular Mass: 347.4783
• Monoisotopic Mass: 347.17798145
• SMILES: c1(C(=O)N2C(CCc3n(ccn3)C)CCCC2)c(nc(s1)NC)C
• Canonical SMILES: CNc1nc(c(s1)C(=O)N1CCCCC1CCc1nccn1C)C
• InChI: InChI=1S/C17H25N5OS/c1-12-15(24-17(18-2)20-12)16(23)22-10-5-4-6-13(22)7-8-14-19-9-11-21(14)3/h9,11,13H,4-8,10H2,1-3H3,(H,18,20)
• InChIKey: JVUCYPIVASWLIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-5-{2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine-1-carbonyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: N,4-dimethyl-5-{2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl}-1,3-thiazol-2-amine
• Synonyms: N,4-dimethyl-5-({2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1-piperidinyl}carbonyl)-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Log P: 1.6895216
• Molar Refractivity: 97.2386 cm^3
• Polarizability: 36.051456 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.838128
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.95588106
• LogD (pH = 7.4): 1.650987

供应商提供(Chembridge)

• Log P: 0.16
• LOG S: -3.18
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1