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

• ChemBase ID: 493743
• Molecular Formular: C14H17N5OS2
• Molecular Mass: 335.44768
• Monoisotopic Mass: 335.08745219
• SMILES: c12nc(cn1ccs2)CC(=O)Nc1sc(nn1)C(CCC)C
• Canonical SMILES: CCCC(c1nnc(s1)NC(=O)Cc1cn2c(n1)scc2)C
• InChI: InChI=1S/C14H17N5OS2/c1-3-4-9(2)12-17-18-13(22-12)16-11(20)7-10-8-19-5-6-21-14(19)15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18,20)
• InChIKey: HMPIWYXCQOYWDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
• Synonyms: 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.383432
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.952567
• LogD (pH = 7.4): 2.9655693
• Log P: 2.9661715
• Molar Refractivity: 100.3739 cm^3
• Polarizability: 32.59313 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.38
• LOG S: -3.68
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6