2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[2-(pyridin-3-ylformamido)ethyl]acetamide

• ChemBase ID: 420971
• Molecular Formular: C15H15N5O2S
• Molecular Mass: 329.3769
• Monoisotopic Mass: 329.09464575
• SMILES: c12nc(cn1ccs2)CC(=O)NCCNC(=O)c1cnccc1
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C15H15N5O2S/c21-13(8-12-10-20-6-7-23-15(20)19-12)17-4-5-18-14(22)11-2-1-3-16-9-11/h1-3,6-7,9-10H,4-5,8H2,(H,17,21)(H,18,22)
• InChIKey: JVAGITBWVUIRCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[2-(pyridin-3-ylformamido)ethyl]acetamide
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[2-(pyridin-3-ylformamido)ethyl]acetamide
• Synonyms: N-{2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]ethyl}nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.77729
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.12672296
• LogD (pH = 7.4): -0.10829076
• Log P: -0.10805239
• Molar Refractivity: 97.0741 cm^3
• Polarizability: 32.154335 Å^3
• Polar Surface Area: 88.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.69
• LOG S: -1.95
• Polar Surface Area: 88.39 Å^2
• Rotatable Bonds: 6