Basic information
- Standard SMILES
CCOc1ccc(-c2nc(-c3cc(C(=O)O)c[nH]3)cs2)cc1OCC- InChIKey
SEYHZYDCPPVHMJ-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4S
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-Diethoxyphenyl)-4-(4-carboxy-2-pyrrolyl)thiazole
- IUPAC
- 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylic acid
Names & synonyms
SCHEMBL6195595SEYHZYDCPPVHMJ-UHFFFAOYSA-N2-(3,4-diethoxyphenyl)-4-(4-carboxy-2-pyrrolyl)thiazole
Database identifiers
- PubChem CID
- 18707337
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
4 records
Compound notes
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