Basic information
- Standard SMILES
CCOC(=O)c1csc(Cc2ccc(C(C)=O)s2)n1- InChIKey
ZQWZIKMBXASJIW-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S2
- Average molar mass
- 295.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-Acetyl-thiophen-2-ylmethyl)-thiazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxylate
Names & synonyms
2-(5-Acetyl-thiophen-2-ylmethyl)-thiazole-4-carboxylic acid ethyl esterSCHEMBL1705772ZQWZIKMBXASJIW-UHFFFAOYSA-N1258459-28-7DB-337681
Database identifiers
- PubChem CID
- 67128409
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
Loading…