Basic information
- Standard SMILES
CC=C(C(=O)OCC)c1csc(N)n1- InChIKey
VPPYZOUGSYWINF-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S
- Average molar mass
- 212.27 g/mol
Names & identifiers
- Preferred name
- 1-(2-Aminothiazol-4-yl)-1-propencarboxylic acid ethyl ester
- IUPAC
- ethyl 2-(2-amino-1,3-thiazol-4-yl)but-2-enoate
Names & synonyms
SCHEMBL7107470VPPYZOUGSYWINF-UHFFFAOYSA-N1-(2-Aminothiazol-4-yl)-1-propencarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 54404371
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Linked notes
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