1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea | CAS No. 1430213-30-1

1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea

Basic Information

CAS Number

1430213-30-1

Molecular Formula

C15H9F4N5OS

Molecular Weight

383.33 g/mol

AD

Basic Physical Properties

C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F

InChI

InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)

InChIKey

WMCOYUSJXXCHFH-UHFFFAOYSA-N

LogP

4.402

Topological Polar Surface Area

79.8 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

491

Synonyms & References

English

  • 1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[5-(4-pyridinyl)-1,3,4-t hiadiazol-2-yl]ure
  • AG-B-78940
  • CTK2A1782
  • SureCN4403596
  • PC5329
  • AG-A-14562
  • BB 0260648
  • 1-(4-fluoro-2-nitro-phenyl)-piperidine-4-carbonic acid
  • KB-123605
  • 1-(4-fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea
  • ML-216
  • ML 216
  • ML216
  • WMCOYUSJXXCHFH-UHFFFAOYSA-N
  • AC-35514
  • NCGC00189393-02
  • MLS006010827
  • A857038
  • F53109
  • BCP16264
  • DA-65527
  • 1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[5-(4-pyridinyl)-1,3,4-thiadiaZol-2-yl]urea
  • HY-12342
  • NCGC00189393
  • CHEMBL2426168
  • NCGC00189393-03
  • NCGC00189393-01
  • MFCD24849400
  • GTPL13026
  • EX-A1685
  • 1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea

MDL Number

MFCD24849400

FAQ

What are the physical and chemical properties of 1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea (CAS: 1430213-30-1)?

The compound is crystalline with a molecular weight of approximately 511.92 g/mol. It has a low water solubility, making it more soluble in organic solvents like DMSO. Chemically, it is stable under normal conditions but reacts with strong acids and bases. The compound exhibits good reactivity towards nucleophiles and electrophiles, commonly observed in urea and thiadiazole functional groups.

How is 1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea (CAS: 1430213-30-1) typically synthesized?

This compound is typically synthesized via a multi-step process involving the coupling of 4-fluoro-3-(trifluoromethyl)benzaldehyde, 5-(pyridin-4-yl)-1,3,4-thiadiazole, and urea. The process includes protection and deprotection steps, utilizing catalysts like palladium and amines. The yield is generally good, and the final product is purified by recrystallization or column chromatography.

What industries use 1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea (CAS: 1430213-30-1)?

This compound is primarily used in the pharmaceutical industry due to its potential as a therapeutic agent. It may also find applications in sensor technology and as a component in certain polymer formulations. Its unique chemical properties make it suitable for various research and development activities in these fields.

What precautions should be taken when handling 1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea (CAS: 1430213-30-1)?

When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and lab coats. Ensure proper ventilation in the laboratory and use a fume hood during operations. Spills should be cleaned up immediately using appropriate materials, and the material safety data sheet (MSDS) should be consulted for detailed handling procedures. Avoid contact with skin and eyes, and store the compound under dry conditions away from direct sunlight.

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