57235-50-4

Basic information

• Product Name: 2-AMINO-5-CYCLOPROPYL-1,3,4-THIADIAZOLE
• Synonyms: BUTTPARK 52\11-33;5-CYCLOPROPYL-1,3,4-THIADIAZOL-2-AMINE;5-CYCLOPROPYL-[1,3,4]THIADIAZOL-2-YLAMINE;AKOS BBS-00007011;AKOS B006180;2-AMINO-5-CYCLOPROPYL-1,3,4-THIADIAZOLE;2-AMINO-5-CYCLOPROPANYL-1,3,4-THIADIAZOLE;5-cyclopropyl-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
• CAS NO: 57235-50-4
• Molecular Formula: C₅H₇N₃S
• Molecular Weight: 141.19
• Product Categories: Amines;Oxadiazoles & Thiadiazoles;Heterocyclic Compounds;Heterocycles;Oxadiazoles & Thiadiazoles;Sulfur & Selenium Compounds
• Mol File: 57235-50-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 214-216°C
• Boiling Point: 310.8°Cat760mmHg
• Flash Point: 141.8°C
• Appearance: /
• Density: 1.476g/cm³
• Vapor Pressure: 0.000587mmHg at 25°C
• Refractive Index: 1.702
• Storage Temp.: -20°C Freezer
• Solubility: Methanol (Sparingly), Water (Slightly, Heated, Sonicated)
• PKA: 4.05±0.10(Predicted)
• Water Solubility: Soluble in Methanol. Insoluble in water.
• Stability: Store in freezer at -20°C
• BRN: 124356
• CAS DataBase Reference: 2-AMINO-5-CYCLOPROPYL-1,3,4-THIADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-5-CYCLOPROPYL-1,3,4-THIADIAZOLE(57235-50-4)
• EPA Substance Registry System: 2-AMINO-5-CYCLOPROPYL-1,3,4-THIADIAZOLE(57235-50-4)

Safety Data

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 22-24/25-45
• HazardClass: IRRITANT
• Hazardous Substances Data: 57235-50-4(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

2-Amino-5-cyclopropyl-1,3,4-thiadiazole is used as antibacterial agent.

InChI:InChI=1/C5H7N3S/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)

Upstream product

• 79-19-6 thiosemicarbazide 
• 1759-53-1 cyclopropanecarboxylic acid 
• 5500-21-0 cyclopropropanecarbonitrile 
• 4023-34-1 cyclopropanecarboxylic acid chloride 

Downstream Products

• 1263402-17-0 N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy)-5-((1-methyl-2-oxopyrrolidin-3-yl)oxy)benzamide 

Relevant articles and documents

Synthesis and Antimicrobial Activity Evaluation of Imidazole-Fused Imidazo[2,1-b][1,3,4]thiadiazole Analogues

Three series of new imidazole-fused imidazo[2,1-b][1,3,4]thiadiazole analogues (compounds 20 a–g, 21 a–g, and 22 a–g) have been synthesized, and their antibacterial and antifungal activities have been evaluated. All the target compounds showed strong anti

Discovery of novel nonpeptide small-molecule NRP1 antagonists: Virtual screening, molecular simulation and structural modification

Multifaceted roles of vascular endothelial growth factor (VEGF)-neuropilin-1 (NRP1) interaction have been implicated in cancer, but reports on small-molecule inhibitors of VEGF-NRP1 interaction are scarce. Herein, we describe the identification of 1, a novel nonpeptide small-molecule NRP1 antagonist with moderate activity via structure-based virtual screening. Ensemble docking and molecular dynamics (MD) simulations of 1 were carried out and an interesting binding model was obtained. We found that the “aromatic box” enclosed by Tyr297, Trp301 and Tyr353 of NRP1 is critical for NRP1-1 binding. Further structure modification of 1 based on the binding model derived from MD simulations resulted in the identification of 12a with significantly improved activity.

Synthesis and biological activity of acylthiourea derivatives contain 1,2,3-thiadiazole and 1,3,4-thiadiazole

In order to investigate the biological activity of novel thiourea compounds, some novel 1,2,3-thiadiazole derivatives containing 1,3,4-thiadiazole were synthesized under phase transfer catalyzed condition(PEG-600)by multi-step reactions. The chemical structures of all compounds were established by 1H NMR, FTIR, MS, and elemental analysis, and some of these compounds were investigated for fungicidal activity and plant growth regulatory activity. The bioassay results indicated that some of these compound exhibited moderate activities.