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

• ChemBase ID: 486139
• Molecular Formular: C10H10N6OS3
• Molecular Mass: 326.421
• Monoisotopic Mass: 326.00782197
• SMILES: c12nc(cn1ccs2)CNC(=O)CSc1sc(nn1)N
• Canonical SMILES: O=C(CSc1nnc(s1)N)NCc1cn2c(n1)scc2
• InChI: InChI=1S/C10H10N6OS3/c11-8-14-15-10(20-8)19-5-7(17)12-3-6-4-16-1-2-18-9(16)13-6/h1-2,4H,3,5H2,(H2,11,14)(H,12,17)
• InChIKey: FZSWOIJEYKDZDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.657199
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.11545436
• LogD (pH = 7.4): 0.12528688
• Log P: 0.12541589
• Molar Refractivity: 92.291 cm^3
• Polarizability: 29.618671 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.7
• LOG S: -3.03
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 5