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

• ChemBase ID: 692680
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: c1(c(n2c(n1)scc2)CN1CCOCC1)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCOCC1)ccs2)N1CCCC1
• InChI: InChI=1S/C15H20N4O2S/c20-14(18-3-1-2-4-18)13-12(11-17-5-8-21-9-6-17)19-7-10-22-15(19)16-13/h7,10H,1-6,8-9,11H2
• InChIKey: FMZFGBXZEAYJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}morpholine
• Synonyms: 5-(morpholin-4-ylmethyl)-6-(pyrrolidin-1-ylcarbonyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3657656
• LogD (pH = 7.4): 0.52335906
• Log P: 0.5257884
• Molar Refractivity: 97.0479 cm^3
• Polarizability: 32.205704 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.31
• LOG S: -3.11
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3