N-(5-nitro-1,3-thiazol-2-yl)hexa-2,4-dienamide
Basic information
- CAS
64724-82-9- Standard SMILES
CC=CC=CC(=O)Nc1ncc([N+](=O)[O-])s1- InChIKey
QSWLPXSRRPUZJH-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3S
- Average molar mass
- 239.25 g/mol
- Monoisotopic mass
- 239.03646233
Names & identifiers
- Preferred name
- N-(5-nitro-1,3-thiazol-2-yl)hexa-2,4-dienamide
- IUPAC
- N-(5-nitro-1,3-thiazol-2-yl)hexa-2,4-dienamide
Names & synonyms
64724-82-9N-(5-nitro-1,3-thiazol-2-yl)hexa-2,4-dienamideDTXSID00314937
Database identifiers
- CAS
64724-82-9- PubChem CID
- 324465
- DTXSID
DTXSID00314937
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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