3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2,5-dimethylphenyl)propanamide
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Basic information
- CAS
889947-90-4- Standard SMILES
Cc1ccc(C)c(NC(=O)CCSc2nnc(N)s2)c1- InChIKey
DVIALZWNORIQCS-UHFFFAOYSA-N- Molecular formula
- C13H16N4OS2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.07655349
Names & identifiers
- Preferred name
- 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2,5-dimethylphenyl)propanamide
- IUPAC
- 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide
- English name
- 3-[(5-AMINO-1,3,4-THIADIAZOL-2-YL)THIO]-N-(2,5-DIMETHYLPHENYL)PROPANAMIDE
- Molecular formula
- C13H16N4OS2
- Molecular weight
- 308.42
Names & synonyms
889947-90-43-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2,5-dimethylphenyl)propanamide3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide3-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(2,5-dimethylphenyl)propanamideMFCD08133408propanamide, 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2,5-dimethylphenyl)-C13H16N4OS2Oprea1_475495ALBB-012614STK801712AKOS000112175LS-03952
Show more names
propanamide, 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(23-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2,5-dimethylphenyl)propionamide
CS-0322044H30044
Database identifiers
- CAS
889947-90-4- PubChem CID
- 17122304
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 14.17 · 14.17±0.70(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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