2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide

Base Information

• Chemical Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
• CAS No.: 332114-16-6
• Molecular Formula: C₁₀H₁₀N₄OS₂
• Molecular Weight: 266.348
• DSSTox Substance ID: DTXSID901329200
• ChEMBL ID: CHEMBL1569875
• Mol file: 332114-16-6.mol

Synonyms:332114-16-6;2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide;2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-phenylacetamide;2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-n-phenylacetamide;2-(5-amino-1,3,4-thiadiazol-2-ylthio)-N-phenylacetamide;2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-phenyl-acetamide;Oprea1_429383;Oprea1_491533;MLS000769214;CHEMBL1569875;SCHEMBL13335420;DTXSID901329200;HMS1799E14;HMS2793J09;CCG-59622;STK803029;AKOS000112091;WAY-299490;NCGC00099707-01;SMR000433948;CS-0323519;EU-0011697;SR-01000494678;SR-01000494678-1;2-(2-amino-1,3,4-thiadi azole-5-thio)-N-phenyle thyl amide;2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-acetamide

Chemical Property of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 266.02960330
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-phenylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N

Technology Process of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide

There total 3 articles about 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide 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: 88.0%

N-chloroacetyl-aniline (587-65-5) + 2-Amino-5-mercapto-1,3,4-thiadiazole (2349-67-9) → 2-amino-5-[(phenylcarbamoyl)methylthio]-1,3,4-thiadiazole (332114-16-6)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃;

DOI:10.2174/1573406412666160201120806

Reference yield:

aniline (62-53-3) → 2-amino-5-[(phenylcarbamoyl)methylthio]-1,3,4-thiadiazole (332114-16-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 0 - 20 °C

2: potassium iodide; sodium hydroxide / ethanol; water / 1 h / 20 °C

With potassium iodide; sodium hydroxide; In ethanol; water; acetic acid;

DOI:10.1111/j.1747-0285.2010.01017.x

Reference yield:

→ 2-amino-5-[(phenylcarbamoyl)methylthio]-1,3,4-thiadiazole (332114-16-6)

Guidance literature:

With sodium iodide; sodium hydroxide; In ethanol; water; at 20 ℃; for 1h;

upstream raw materials:

N-chloroacetyl-aniline

2-Amino-5-mercapto-1,3,4-thiadiazole

aniline