84138-77-2

Basic information

• Product Name: 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE
• Synonyms: 5-[(4-METHYLPHENOXY)METHYL]-1,3,4-THIADIAZOL-2-YLAMINE;5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE;2-AMINO-5-(4-METHYLPHENOXY) METHYL-1,3,4-THIADIAZOLE;CHEMBRDG-BB 5491809;VITAS-BB TBB000077;TIMTEC-BB SBB011471;5-((4-METHYLPHENOXY)METHYL)-1,3,4-THIADIAZOL-2-AMINE;OTAVA-BB 7020330428
• CAS NO: 84138-77-2
• Molecular Formula: C₁₀H₁₁N₃OS
• Molecular Weight: 221.28
• Mol File: 84138-77-2.mol
• Article Data: 8

Chemical Properties

• Melting Point: 208℃
• Boiling Point: 421.5°C at 760 mmHg
• Flash Point: 208.7°C
• Appearance: /
• Density: 1.312g/cm³
• Vapor Pressure: 2.6E-07mmHg at 25°C
• Refractive Index: 1.643
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE(84138-77-2)
• EPA Substance Registry System: 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE(84138-77-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 84138-77-2(Hazardous Substances Data)

Usage

General Description

5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE is a chemical compound with the molecular formula C10H11N3OS. It is a derivative of thiazole containing a 5-p-tolyloxy methyl substituent and an amino group at the 2-position. 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE has potential applications in the field of medicinal chemistry, particularly in the development of new pharmaceuticals. It may exhibit biological activities such as antimicrobial, antiviral, or anti-inflammatory properties, making it a potential candidate for drug development. Researchers and pharmaceutical companies may be interested in further studying the properties and potential uses of 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE for various medical purposes.

InChI:InChI=1/C10H11N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13)

Upstream product

• 36304-39-9 4-methylphenoxyacetyl hydrazide 
• 67028-40-4 ethyl (4-methylphenoxy)acetate 
• 106-44-5 p-cresol 
• 940-64-7 2-(4-methylphenoxy)acetic acid 
• 79-19-6 thiosemicarbazide 
• 121068-31-3 C₁₀H₁₃N₃O₂S 

Downstream Products

• 960394-49-4 C₁₃H₁₅N₃OS₃ 
• 1263183-70-5 C₁₄H₁₃N₃O₂S 
• 123282-50-8 2-(Chloroacetamido)-5-(4-methylphenoxymethyl)-1,3,4-thiadiazole 
• 1357853-48-5 C₂₃H₂₄N₄O₂S 
• 1357853-67-8 C₁₈H₁₅N₃OS 
• 1253415-15-4 2-(4-methylphenoxymethyl)-5-(4-methylphenyl)-6-thioxo-[1,2,4]-triazolo-[3,2-b][1,3,4]-thiadiazole 
• 1253414-77-5 C₁₈H₁₈N₄OS₂ 
• 1253415-16-5 C₁₈H₁₆N₄O₂S₂ 
• 1253414-79-7 C₁₈H₁₈N₄O₂S₂ 
• 1253415-17-6 C₁₉H₁₈N₄O₂S₂ 
• 1253414-81-1 C₁₉H₂₀N₄O₂S₂ 
• 1253415-14-3 C₁₇H₁₄N₄OS₂ 
• 1253414-75-3 C₁₇H₁₆N₄OS₂ 

Relevant articles and documents

Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA

Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.

Synthesis and biological evaluation of some novel 2-mercaptobenzothiazoles carrying 1,3,4-oxadiazole, 1,3,4-thiadiazole and 1,2,4-triazole moieties

Several 2-mercaptobenzothiazole derivatives containing 1,3,4-oxadiazoles, 1,2,4-triazoles and 1,3,4-thiadiazoles at the second position were synthesized. Some of these synthesized compounds were evaluated for their in vivo analgesic, anti-inflammatory, acute toxicity and ulcerogenic actions. Some of the tested compounds showed significant analgesic and anti-inflammatory activities. Two of the compounds showed significant gastrointestinal protection compared to the standard drug diclofenac sodium. The compounds were also tested for their in vitro antimicrobial activity with most displaying selective activity against the Gram-negative bacteria Pseudomonas aeruginosa. In the present investigation the tested compounds did not possess antifungal activity.

Solvent-free synthesis of 2-amino-5-aryloxymenthyl-1,3,4-thiadiazoles and their coumarin or benzofuran bis-heterocyclic derivatives

2-amino-5-aryloxymethyl-1,3,4-thiadiazoles were synthesized rapidly by a microwave-accelerated solvent-free procedure in high yield via the condensation of thiosemicarbazide with aryloxyacetic acids using poly(ethylene glycol)-supported dichlorophosphate