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

• ChemBase ID: 577299
• Molecular Formular: C13H16N4OS2
• Molecular Mass: 308.42234
• Monoisotopic Mass: 308.07655315
• SMILES: c12=NCCn1c(CC(=O)NC(c1nc(sc1)C)C)cs2
• Canonical SMILES: O=C(Cc1csc2=NCCn12)NC(c1csc(n1)C)C
• InChI: InChI=1S/C13H16N4OS2/c1-8(11-7-19-9(2)16-11)15-12(18)5-10-6-20-13-14-3-4-17(10)13/h6-8H,3-5H2,1-2H3,(H,15,18)
• InChIKey: HTANEFIIANRCKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.169914
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.10985253
• LogD (pH = 7.4): 0.5056665
• Log P: 0.5235258
• Molar Refractivity: 82.0178 cm^3
• Polarizability: 30.942478 Å^3
• Polar Surface Area: 57.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.11
• LOG S: -2.85
• Polar Surface Area: 57.59 Å^2
• Rotatable Bonds: 4