N-{2-[4-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholin-2-yl]ethyl}acetamide

• ChemBase ID: 355071
• Molecular Formular: C14H19ClN4O2S
• Molecular Mass: 342.84426
• Monoisotopic Mass: 342.09172455
• SMILES: n1c2n(c(c1Cl)CN1CC(OCC1)CCNC(=O)C)ccs2
• Canonical SMILES: CC(=O)NCCC1OCCN(C1)Cc1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C14H19ClN4O2S/c1-10(20)16-3-2-11-8-18(4-6-21-11)9-12-13(15)17-14-19(12)5-7-22-14/h5,7,11H,2-4,6,8-9H2,1H3,(H,16,20)
• InChIKey: HZZRAMDIZGVTOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholin-2-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[4-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholin-2-yl]ethyl}acetamide
• Synonyms: N-(2-{4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.665941
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.27892917
• LogD (pH = 7.4): 0.40017262
• Log P: 0.40195963
• Molar Refractivity: 98.8024 cm^3
• Polarizability: 33.294674 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.02
• LOG S: -2.57
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5