N-(2-nitrooxyethyl)-4-thiazolecarboxamide
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Basic information
- Standard SMILES
O=C(NCCO[N+](=O)[O-])c1cscn1- InChIKey
AENONZUNNOGDRT-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4S
- Average molar mass
- 217.21 g/mol
Names & identifiers
- Preferred name
- N-(2-nitrooxyethyl)-4-thiazolecarboxamide
- IUPAC
- 2-(1,3-thiazole-4-carbonylamino)ethyl nitrate
Names & synonyms
SCHEMBL9329296AENONZUNNOGDRT-UHFFFAOYSA-NN-(2-nitrooxyethyl)-4-thiazolecarboxamide
Database identifiers
- PubChem CID
- 20060240
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
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Related reactions
3 records
Compound notes
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