Benzamide, N-(5-phenyl-1,2,4-thiadiazol-3-yl)-

Base Information

• Chemical Name: Benzamide, N-(5-phenyl-1,2,4-thiadiazol-3-yl)-
• CAS No.: 89879-91-4
• Molecular Formula: C₁₅H₁₁N₃OS
• Molecular Weight: 281.338
• DSSTox Substance ID: DTXSID20357366
• Wikidata: Q82137257
• Mol file: 89879-91-4.mol

Synonyms:N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide;89879-91-4;Benzamide, N-(5-phenyl-1,2,4-thiadiazol-3-yl)-;Oprea1_262270;DTXSID20357366;AKOS000813266;F3394-1103;Z275022534

Chemical Property of Benzamide, N-(5-phenyl-1,2,4-thiadiazol-3-yl)-

Chemical Property:

• PSA: 86.61000
• LogP: 3.84140
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 281.06228316
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)C3=CC=CC=C3

Technology Process of Benzamide, N-(5-phenyl-1,2,4-thiadiazol-3-yl)-

There total 3 articles about Benzamide, N-(5-phenyl-1,2,4-thiadiazol-3-yl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 40.0%

N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide (160694-77-9) → 3-benzamido-5-phenyl-1,2,4-thiadiazole (89879-91-4) + N-(5-phenyl-1,2,4-thiadiazol-3-yl)thiobenzamide

Guidance literature:

With Lawessons reagent; In toluene; for 3h; Heating;

Reference yield:

5-phenyl-1,2,4-oxadiazol-3-amine (7788-14-9) → 3-benzamido-5-phenyl-1,2,4-thiadiazole (89879-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / pyridine / benzene / 20 h / Heating

2: Lawesson reagent / toluene / 3 h / Heating

With Lawessons reagent; pyridine; In toluene; benzene;

Reference yield:

benzoyl chloride (98-88-4) → 3-benzamido-5-phenyl-1,2,4-thiadiazole (89879-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / pyridine / benzene / 20 h / Heating

2: Lawesson reagent / toluene / 3 h / Heating

With Lawessons reagent; pyridine; In toluene; benzene;

upstream raw materials:

N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide

5-phenyl-1,2,4-oxadiazol-3-amine

benzoyl chloride

Downstream raw materials:

3-methyl-N-(5-phenyl-[1,2,4]thiadiazol-3-yl)-dibenzamide