Basic information
- Standard SMILES
CCOC(=O)c1sc(N(C)c2ccccc2)nc1CBr- InChIKey
HDANWXYTSHOFPE-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2O2S
- Average molar mass
- 355.25 g/mol
Names & identifiers
- Preferred name
- 4-Bromomethyl-2-(methyl-phenyl-amino)-thiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(bromomethyl)-2-(N-methylanilino)-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL2886846HDANWXYTSHOFPE-UHFFFAOYSA-N4-Bromomethyl-2-(methyl-phenyl-amino)-thiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68428554
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
4 records
Compound notes
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