N-methyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

• ChemBase ID: 388796
• Molecular Formular: C16H18N4OS
• Molecular Mass: 314.40532
• Monoisotopic Mass: 314.12013222
• SMILES: c12n(c(CC(=O)N(C(c3nccs3)C)C)cn1)cccc2C
• Canonical SMILES: O=C(N(C(c1nccs1)C)C)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C16H18N4OS/c1-11-5-4-7-20-13(10-18-15(11)20)9-14(21)19(3)12(2)16-17-6-8-22-16/h4-8,10,12H,9H2,1-3H3
• InChIKey: YDIRLWVROLFOTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
• IUPAC Traditional name: N-methyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
• Synonyms: N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7018867
• LogD (pH = 7.4): 1.445028
• Log P: 1.4963263
• Molar Refractivity: 87.4202 cm^3
• Polarizability: 32.845318 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.87
• LOG S: -2.24
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4