Basic information
- CAS
14538-17-1- Standard SMILES
CCCCC(=O)Nc1ncc([N+](=O)[O-])s1- InChIKey
HAQCGFVINUGJBS-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.05211239
Names & identifiers
- Preferred name
- N-(5-nitro-1,3-thiazol-2-yl)pentanamide
- IUPAC
- N-(5-nitro-1,3-thiazol-2-yl)pentanamide
Names & synonyms
N-(5-nitro-1,3-thiazol-2-yl)pentanamide14538-17-1NSC289932MLS000666381SCHEMBL1395039CHEMBL1330029DTXSID40314936HAQCGFVINUGJBS-UHFFFAOYSA-NHMS2678J20AKOS002250962NSC-289932SMR000294199
Show more names
DB-320466ST50207861SR-01000276945SR-01000276945-1
Database identifiers
- CAS
14538-17-1- PubChem CID
- 324461
- DTXSID
DTXSID40314936- ChEMBL
CHEMBL1330029
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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