14861-53-1

Basic information

• Product Name: 1,2,4-Thiadiazol-3-amine, 4,5-dihydro-5-imino-N,4-bis(phenylmethyl)-
• CAS NO: 14861-53-1
• Molecular Formula: C16H16N4S
• Molecular Weight: 296.396
• Mol File: 14861-53-1.mol

Chemical Properties

• CAS DataBase Reference: 1,2,4-Thiadiazol-3-amine, 4,5-dihydro-5-imino-N,4-bis(phenylmethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,4-Thiadiazol-3-amine, 4,5-dihydro-5-imino-N,4-bis(phenylmethyl)-(14861-53-1)
• EPA Substance Registry System: 1,2,4-Thiadiazol-3-amine, 4,5-dihydro-5-imino-N,4-bis(phenylmethyl)-(14861-53-1)

Safety Data

• Hazardous Substances Data: 14861-53-1(Hazardous Substances Data)

Usage

Explanation

The compound is composed of 16 carbon (C) atoms, 16 hydrogen (H) atoms, 4 nitrogen (N) atoms, and 1 sulfur (S) atom.

Explanation

The compound is a derivative of 1,2,4-thiadiazole, which is a five-membered heterocyclic ring containing sulfur, nitrogen, and carbon atoms. It has an amine group (-NH2) attached to the 3rd position, and two phenylmethyl groups (-CH2Ph) attached to the 4th position.

Explanation

The presence of an amine group in the compound allows for potential hydrogen bonding and interaction with other molecules, which can be important in medicinal chemistry.

Explanation

The two phenylmethyl groups attached to the compound provide steric bulk and can influence the compound's lipophilicity, which may affect its pharmacokinetic properties and interactions with biological targets.

Explanation

Due to its unique structure and properties, the compound may have potential applications in the development of pharmaceutical drugs, particularly in medicinal chemistry.

Explanation

The compound's structure, particularly the presence of the thiadiazole ring and amine group, suggests that it may be amenable to further functionalization and modification, which could be useful in the development of new pharmaceutical agents.

Structure

1,2,4-Thiadiazol-3-amine, 4,5-dihydro-5-imino-N,4-bis(phenylmethyl)

Amine Group

-NH2

Phenylmethyl Groups

-CH2Ph

Potential Applications

Medicinal Chemistry and Pharmaceutical Drugs

Research and Development

Organic Synthesis and Drug Discovery

Heterocyclic Ring

Thiadiazole

Hydrogen Bonding

Possible due to amine group

Lipophilicity

Influenced by phenylmethyl groups

Reactivity

Potential for further functionalization and modification

Upstream product

• 47242-23-9 N,N'-dibenzyl-μ-disulfido-1,2-diimido-dicarbonic acid diamide 
• 14779-10-3 μ-disulfido-1,2-diimido-dicarbonic acid bis-benzylamide; dihydrobromide 
• 621-83-0 N-benzylthiourea 

Relevant articles and documents

Kinetics and mechanism of condensation reactions of thiobenzamides and N-substituted thioureas

The condensation reaction of thiobenzamides and of N-substituted thioureas in dimethyl sulfoxide or in methanol, in the presence of the mixture DMSO-H+-X- (X = Cl, Br) produces 1,2,4-thiadiazole derivatives. Kinetic investigation emp

Mechanism of the formation of 1,2,4-thiadiazoles by condensation of aromatic thioamides and of N-substituted thioureas

The condensation reaction of thiobenzamide, (as well as thionicotinamide and isothionicotinamide) in the presence of dimethyl sulfoxide and of an acid, affords 3,5-diphenyl-1,2,4-thiadiazole. Under the same experimental conditions, N-substituted thioureas are also condensed to 1,2,4-thiadiazole derivatives; their structure is ascertained by spectroscopic properties and by X-ray diffraction. Some information on the mechanism of thiadiazoles formation from both starting classes of compounds, thiobenzamides and N- substituted thiourea, is collected and discussed.