5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-amine
• CAS No.: 2002-04-2
• Molecular Formula: C7H6 N4 S
• Molecular Weight: 178.217
• Hs Code.: 2934999090
• European Community (EC) Number: 625-784-7
• DSSTox Substance ID: DTXSID50173834
• Nikkaji Number: J78.900C
• Wikidata: Q83043867
• ChEMBL ID: CHEMBL1587819
• Mol file: 2002-04-2.mol

Synonyms:2002-04-2;5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine;5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;2-Amino-5-(4-pyridinyl)-1,3,4-thiadiazole;2-amino-5-(4-pyridyl)-1,3,4-thiadiazole;5-Pyridin-4-yl-[1,3,4]thiadiazol-2-ylamine;2-amino-5-(pyridin-4-yl)-1,3,4-thiadiazole;5-(4-Pyridyl)-1,3,4-thiadiazol-2-amine;L 1471;1,3,4-Thiadiazol-2-amine, 5-(4-pyridinyl)-;Pyridine, 4-(2-amino-1,3,4-thiadiazol-5-yl)-;4-(2-Amino-1,3,4-thiadiazol-5-yl)pyridine;BRN 0145266;2-Amino-5-(4-piridil)-1,3,4-tiadiazolo;Pyridine, 4-(5-amino-1,3,4-thiadiazol-2-yl)-;2-Amino-5-(4-piridil)-1,3,4-tiadiazolo [Italian];Oprea1_434506;Oprea1_778085;MLS000035755;SCHEMBL369633;CHEMBL1587819;DTXSID50173834;HMS2395C06;CS-M3225;MFCD00473692;STK346831;AKOS000225475;FS-1306;SDCCGMLS-0015892.P002;SMR000010612;METHYL4-FORMYLBENZOATEDIMETHYLACETAL;LS-130272;2-Amino-5-(4-pyridyl)-1,3,4-thiodiazole;BB 0258802;FT-0692641;5-(4-Pyridinyl)-1,3,4-thiadiazol-2-amine;5-pyridin-4-yl-[1,3,4]thiadiazol-2ylamine;1,3,4-Thiadiazol-2-amine, 5-(4-pyridyl)-;EN300-111019;I-1471;5-(4-Pyridinyl)-1,3,4-thiadiazol-2-amine #;5-(4-Pyridyl)-1,3,4-thiadiazole-2-yl-amine;SR-01000400618;J-012951;SR-01000400618-1;2-Amino-5-(4-pyridinyl)-1,3,4-thiadiazole, 97%;F1018-1277;Z199511592

Chemical Property of 5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-amine

Chemical Property:

• Vapor Pressure: 6.67E-07mmHg at 25°C
• Melting Point: 242-248°C
• Boiling Point: 409.1°Cat760mmHg
• PKA: 1.66±0.10(Predicted)
• Flash Point: 201.2°C
• PSA: 92.93000
• Density: 1.412g/cm³
• LogP: 1.76350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 178.03131738
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-(4-pyridyl)-1,3,4-thiadiazole >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C2=NN=C(S2)N

Technology Process of 5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-amine

There total 17 articles about 5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-amine 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: 93.5%

pyridine-4-carboxylic acid (55-22-1) + thiosemicarbazide (79-19-6) → 2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole (2002-04-2)

Guidance literature:

With choline chloride; urea; at 80 ℃; for 1h;

Reference yield: 83.0%

isoniazid (54-85-3,7640-37-1) + trimethylsilyl isothiocyanate (2290-65-5) → 2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole (2002-04-2)

Guidance literature:

isoniazid; trimethylsilyl isothiocyanate; In ethanol; Reflux;

With sulfuric acid; In ethanol; at 20 ℃;

DOI:10.1039/c3ra00159h

Reference yield: 71.9%

pyridine-4-carbonitrile (100-48-1) + thiosemicarbazide (79-19-6) → 2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole (2002-04-2)

Guidance literature:

With trifluoroacetic acid; at 80 ℃; Reflux;

DOI:10.1016/j.ejmech.2019.112022

upstream raw materials:

2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide

2-acetylamino-5-(4-pyridyl)-1,3,4-thiadiazole

pyridine-4-carbaldehyde

isonicotinaldehyde thiosemicarbazone

Downstream raw materials:

2-acetylamino-5-(4-pyridyl)-1,3,4-thiadiazole

N-(2,6-difluorobenzoyl)-N'-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]urea

1-(4-fluorobenzoyl)-3-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]thiourea

(S)-3-phenyl-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-2-(thiazol-4-ylmethylamino)propanamide

Refernces

• 1、 -. "Aryl or heteroaryl substituted thiadiazole compound and antibacterial application thereof". Paragraph 0095-0097; 0194-0195. . Retrieved 2021/01/30.
• 2、 Xue, Wenjie,Li, Xueyao,Ma, Guixing,Zhang, Hongmin,Chen, Ya,Kirchmair, Johannes,Xia, Jie,Wu, Song. "N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification". . . Retrieved 2020/02/04.