N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 584514
• Molecular Formular: C15H24N4O2S
• Molecular Mass: 324.44166
• Monoisotopic Mass: 324.16199703
• SMILES: c12nc(cn1CCS2)CNC(=O)CC1CN(C(C)C)CCO1
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C15H24N4O2S/c1-11(2)18-3-5-21-13(10-18)7-14(20)16-8-12-9-19-4-6-22-15(19)17-12/h9,11,13H,3-8,10H2,1-2H3,(H,16,20)
• InChIKey: XOIKJQZKOBMGTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.195427
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3863031
• LogD (pH = 7.4): 0.32468027
• Log P: 0.7289564
• Molar Refractivity: 87.8114 cm^3
• Polarizability: 34.213852 Å^3
• Polar Surface Area: 59.39 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: -0.66
• LOG S: -2.31
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5