Basic information
- Standard SMILES
CCOC(=O)c1nc(C)sc1Nc1ccccc1[N+](=O)[O-]- InChIKey
UEBLMHYADDVYBT-UHFFFAOYSA-N- Molecular formula
- C13H13N3O4S
- Average molar mass
- 307.33 g/mol
- Monoisotopic mass
- 307.06267708
Names & identifiers
- Preferred name
- 2-Methyl-5-(2-nitro-phenylamino)-thiazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-methyl-5-(2-nitroanilino)-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL4844037UEBLMHYADDVYBT-UHFFFAOYSA-N2-Methyl-5-(2-nitro-phenylamino)-thiazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 54348595
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
3 records
Compound notes
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