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

• ChemBase ID: 578589
• Molecular Formular: C13H15N5OS2
• Molecular Mass: 321.4211
• Monoisotopic Mass: 321.07180213
• SMILES: c12nc(cn1ccs2)CC(=O)NCc1c(nns1)C(C)C
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NCc1snnc1C(C)C
• InChI: InChI=1S/C13H15N5OS2/c1-8(2)12-10(21-17-16-12)6-14-11(19)5-9-7-18-3-4-20-13(18)15-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,19)
• InChIKey: UUFUGDUFHYZENZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.308702
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.040498
• LogD (pH = 7.4): 2.053951
• Log P: 2.0541253
• Molar Refractivity: 93.6545 cm^3
• Polarizability: 30.777313 Å^3
• Polar Surface Area: 72.18 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: 2.33
• LOG S: -3.53
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5