Basic information
- Standard SMILES
Cc1ncsc1CCOc1ccc(N)c([N+](=O)[O-])c1- InChIKey
LBYCFPISMIPECG-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3S
- Average molar mass
- 279.32 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-Methyl-1,3-thiazol-5-yl)ethoxy]-2-nitroaniline
- IUPAC
- 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-nitroaniline
Names & synonyms
SCHEMBL4859159LBYCFPISMIPECG-UHFFFAOYSA-NDB-1951904-[2-(4-Methyl-5-thiazolyl)ethoxy]-2-nitrobenzenamine4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-nitroaniline755033-36-4
Database identifiers
- PubChem CID
- 69219983
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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