2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}morpholine

• ChemBase ID: 746574
• Molecular Formular: C15H19N7O3S
• Molecular Mass: 377.42146
• Monoisotopic Mass: 377.1270085
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CC(c2n(nnn2)CCOC)OCC1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)C(=O)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C15H19N7O3S/c1-10-12(21-5-8-26-15(21)16-10)14(23)20-3-7-25-11(9-20)13-17-18-19-22(13)4-6-24-2/h5,8,11H,3-4,6-7,9H2,1-2H3
• InChIKey: NWQLDHKPXDVGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}morpholine
• IUPAC Traditional name: 2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-4-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}morpholine
• Synonyms: 5-({2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]morpholin-4-yl}carbonyl)-6-methylimidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.7346244
• LogD (pH = 7.4): -0.7338101
• Log P: -0.73379976
• Molar Refractivity: 118.1327 cm^3
• Polarizability: 34.933243 Å^3
• Polar Surface Area: 99.67 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: 0.25
• LOG S: -3.48
• Polar Surface Area: 99.67 Å^2
• Rotatable Bonds: 5