Basic information
- Standard SMILES
C#CCOc1nc(C(=O)OCC)cs1- InChIKey
MOBUMRGGVIXLQZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- Ethyl 2-(2-propynyloxy)-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-prop-2-ynoxy-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL3762836MOBUMRGGVIXLQZ-UHFFFAOYSA-Nethyl 2-(2-propynyloxy)-1,3-thiazole-4-carboxylate
Database identifiers
- PubChem CID
- 57736338
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
4 records
Compound notes
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