Basic information
- CAS
123419-88-5- Standard SMILES
CCc1nc2sccn2c(=O)c1C(=O)O- InChIKey
FOADOVJWPLQJIR-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.0255633
Names & identifiers
- Preferred name
- 7-Ethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
- IUPAC
- 7-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Names & synonyms
DTXSID9011864547-Ethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid123419-88-57-Ethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Database identifiers
- CAS
123419-88-5- PubChem CID
- 14319829
- DTXSID
DTXSID901186454
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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