Basic information
- CAS
882305-15-9- Standard SMILES
CCOC(=O)c1csc(-c2csc(CC(C)C)n2)n1- InChIKey
IBPFGUSJSIESGI-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2S2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.0653201
Names & identifiers
- Preferred name
- Ethyl 2a(2)-(2-methylpropyl)[2,4a(2)-bithiazole]-4-carboxylate
- IUPAC
- ethyl 2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
Names & synonyms
DTXSID101201101882305-15-9Ethyl 2'-(2-methylpropyl)[2,4'-bi-1,3-thiazole]-4-carboxylateEthyl 2a(2)-(2-methylpropyl)[2,4a(2)-bithiazole]-4-carboxylate
Database identifiers
- CAS
882305-15-9- PubChem CID
- 11601795
- DTXSID
DTXSID101201101
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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