N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 639853
• Molecular Formular: C17H17N5O2S
• Molecular Mass: 355.41418
• Monoisotopic Mass: 355.11029581
• SMILES: c12nc(cn1CCS2)CNC(=O)CCc1nc(no1)c1ccccc1
• Canonical SMILES: O=C(NCc1cn2c(n1)SCC2)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C17H17N5O2S/c23-14(18-10-13-11-22-8-9-25-17(22)19-13)6-7-15-20-16(21-24-15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,23)
• InChIKey: KRTVAGAFNPZBHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.785741
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4292638
• LogD (pH = 7.4): 2.4711487
• Log P: 2.471711
• Molar Refractivity: 106.5464 cm^3
• Polarizability: 36.65369 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.19
• LOG S: -2.81
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 6