N-[2-(2-hydroxyethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 588844
• Molecular Formular: C10H13N3O3S
• Molecular Mass: 255.29352
• Monoisotopic Mass: 255.06776229
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCOCCO
• Canonical SMILES: OCCOCCNC(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C10H13N3O3S/c14-3-5-16-4-1-11-9(15)8-7-13-2-6-17-10(13)12-8/h2,6-7,14H,1,3-5H2,(H,11,15)
• InChIKey: DENCZASNHWNKPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-hydroxyethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[2-(2-hydroxyethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[2-(2-hydroxyethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.17656
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4836924
• LogD (pH = 7.4): -0.48366058
• Log P: -0.4836601
• Molar Refractivity: 74.4513 cm^3
• Polarizability: 23.646475 Å^3
• Polar Surface Area: 75.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.63
• LOG S: -1.6
• Polar Surface Area: 75.86 Å^2
• Rotatable Bonds: 6