1-(5-Amino-2-methyl-[1,3,4]thiadiazol-3-yl)-ethanone
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Basic information
- CAS
72926-03-5- Standard SMILES
CC(=O)N1N=C(N)SC1C- InChIKey
JOJTXKVVXPOYLX-UHFFFAOYSA-N- Molecular formula
- C5H9N3OS
- Average molar mass
- 159.21 g/mol
- Monoisotopic mass
- 159.04663309
Names & identifiers
- Preferred name
- 1-(5-Amino-2-methyl-[1,3,4]thiadiazol-3-yl)-ethanone
- IUPAC
- 1-(5-amino-2-methyl-2H-1,3,4-thiadiazol-3-yl)ethanone
- English name
- 1,3,4-Thiadiazol-2-amine, 4-acetyl-4,5-dihydro-5-methyl- (9CI)
- Molecular formula
- C5H9N3OS
- Molecular weight
- 159.21
Names & synonyms
72926-03-51-(5-Amino-2-methyl-[1,3,4]thiadiazol-3-yl)-ethanone1-(5-amino-2-methyl-1,3,4-thiadiazol-3(2H)-yl)ethanone1-(5-amino-2-methyl-2H-1,3,4-thiadiazol-3-yl)ethanoneSTK3700041-(5-Amino-2-methyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-oneDTXSID60389686Ethanone,1-(5-amino-2-methyl-1,3,4-thiadiazol-3(2H)-yl)-AKOS000301509AKOS022061800CS-0357890ST50258548
Show more names
Ethanone, 1-(5-amino-2-methyl-1,3,4-thiadiazol-3(2H)-yl)-1,3,4-Thiadiazol-2-amine, 4-acetyl-4,5-dihydro-5-methyl- (9CI)
3-acetyl-5-amino-2-methyl-1,3,4-thiadiazoline
Database identifiers
- CAS
72926-03-5- PubChem CID
- 3136586
- DTXSID
DTXSID60389686
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 262.6 · 262.6±23.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 1.12 · 1.12±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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