N-(6-amino-1,3-benzothiazol-2-yl)-2-methoxyacetamide hydrochloride

• ChemBase ID: 124756
• Molecular Formular: C10H12ClN3O2S
• Molecular Mass: 273.73918
• Monoisotopic Mass: 273.03387532
• SMILES: c1(nc2c(s1)cc(N)cc2)NC(=O)COC.Cl
• Canonical SMILES: COCC(=O)Nc1nc2c(s1)cc(cc2)N.Cl
• InChI: InChI=1S/C10H11N3O2S.ClH/c1-15-5-9(14)13-10-12-7-3-2-6(11)4-8(7)16-10;/h2-4H,5,11H2,1H3,(H,12,13,14);1H
• InChIKey: LPBZFAUDRCRWAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-amino-1,3-benzothiazol-2-yl)-2-methoxyacetamide hydrochloride
• IUPAC Traditional name: N-(6-amino-1,3-benzothiazol-2-yl)-2-methoxyacetamide hydrochloride
• Synonyms: N-(6-aminobenzo[d]thiazol-2-yl)-2-methoxyacetamide hydrochloride

Database IDs

• PubChem SID: 162219109
• PubChem CID: 52995535

CALCULATED PROPERTIES

• Acid pKa: 10.452966
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0314943
• LogD (pH = 7.4): 1.0320084
• Log P: 1.0323846
• Molar Refractivity: 62.6188 cm^3
• Polarizability: 24.188946 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl