CAS 1105195-09-2

N3-(6-Fluoro-2-benzothiazolyl)-N1,N1-dimethyl-1,3-propanediamine

Description:

N3-(6-Fluoro-2-benzothiazolyl)-N1,N1-dimethyl-1,3-propanediamine, identified by its CAS number 1105195-09-2, is a chemical compound characterized by its unique structural features, including a benzothiazole moiety and a propanediamine backbone. The presence of a fluorine atom at the 6-position of the benzothiazole ring enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit properties typical of amines, such as basicity and the ability to form hydrogen bonds, which can affect its solubility and reactivity. The dimethyl substitution on the propanediamine portion suggests steric hindrance, potentially impacting its interaction with biological targets. Given its structural complexity, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific biological activities, toxicity, and environmental impact would require further investigation through empirical studies and safety assessments.

Formula: C₁₂H₁₆FN₃S

InChI: InChI=1S/C12H16FN3S/c1-16(2)7-3-6-14-12-15-10-5-4-9(13)8-11(10)17-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)

InChI key: InChIKey=DXHQWYMXQVAOLN-UHFFFAOYSA-N

SMILES: N(CCCN(C)C)C=1SC=2C(N1)=CC=C(F)C2

Synonyms:

• N3-(6-Fluoro-2-benzothiazolyl)-N1,N1-dimethyl-1,3-propanediamine
• 1,3-Propanediamine, N3-(6-fluoro-2-benzothiazolyl)-N1,N1-dimethyl-