Basic information
- Standard SMILES
[N-]=[N+]=Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)O)s1- InChIKey
IERNPLUOWMFIRB-UHFFFAOYSA-N- Molecular formula
- C11H5F3N4O2S
- Average molar mass
- 314.25 g/mol
Names & identifiers
- Preferred name
- 2-Azido-4-(3-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid
- IUPAC
- 2-azido-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
Names & synonyms
2-azido-4-(3-trifluoromethyl-phenyl)-thiazole-5-carboxylic acidSCHEMBL27857817
Database identifiers
- PubChem CID
- 86642802
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
3 records
Compound notes
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