4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine

• ChemBase ID: 408185
• Molecular Formular: C15H17N5O4S
• Molecular Mass: 363.39158
• Monoisotopic Mass: 363.10012505
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CC(Cc2nc(no2)COC)OCC1
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)C(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C15H17N5O4S/c1-22-9-12-17-13(24-18-12)6-10-7-19(2-4-23-10)14(21)11-8-20-3-5-25-15(20)16-11/h3,5,8,10H,2,4,6-7,9H2,1H3
• InChIKey: NFDNPOVALCNPDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
• IUPAC Traditional name: 4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
• Synonyms: 6-[(2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-morpholinyl)carbonyl]imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.47041187
• LogD (pH = 7.4): 0.4704427
• Log P: 0.4704431
• Molar Refractivity: 101.0898 cm^3
• Polarizability: 33.300495 Å^3
• Polar Surface Area: 94.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.04
• LOG S: -3.12
• Polar Surface Area: 94.99 Å^2
• Rotatable Bonds: 5