Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2CC1CN2c1nccs1- InChIKey
CTIYOARNXONQJK-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2S
- Average molar mass
- 281.38 g/mol
Names & identifiers
- Preferred name
- 5-Thiazol-2-yl-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-(1,3-thiazol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
SCHEMBL1199139CTIYOARNXONQJK-UHFFFAOYSA-N5-Thiazol-2-yl-2, 5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester5-Thiazol-2-yl-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66939620
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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