2-chloro-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide hydrochloride

• ChemBase ID: 273806
• Molecular Formular: C10H10Cl2N2O2S
• Molecular Mass: 293.1696
• Monoisotopic Mass: 291.98400393
• SMILES: c1(nc2c(s1)cccc2OC)NC(=O)CCl.Cl
• Canonical SMILES: ClCC(=O)Nc1sc2c(n1)c(OC)ccc2.Cl
• InChI: InChI=1S/C10H9ClN2O2S.ClH/c1-15-6-3-2-4-7-9(6)13-10(16-7)12-8(14)5-11;/h2-4H,5H2,1H3,(H,12,13,14);1H
• InChIKey: JBUIKZPDLARHGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide hydrochloride
• Synonyms: 2-chloro-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD18785558
• PubChem SID: 164329716
• PubChem CID: 54592934

CALCULATED PROPERTIES

• Acid pKa: 10.641801
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4151018
• LogD (pH = 7.4): 2.4148684
• Log P: 2.4151046
• Molar Refractivity: 62.6814 cm^3
• Polarizability: 24.900215 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.906

Product Information

• Purity: 95%