Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C2=NC(=O)CS2)C[C@@H]1CO- InChIKey
KRSGGUNOFWRUIU-SECBINFHSA-N- Molecular formula
- C13H21N3O4S
- Average molar mass
- 315.39 g/mol
- Monoisotopic mass
- 315.12527733
Names & identifiers
- Preferred name
- 2(R)-Hydroxymethyl-4-(4-oxo-4,5-dihydro-thiazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-2-(hydroxymethyl)-4-(4-oxo-1,3-thiazol-2-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL1990915KRSGGUNOFWRUIU-SECBINFHSA-N2(R)-Hydroxymethyl-4-(4-oxo-4,5-dihydro-thiazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester2-(R)-Hydroxymethyl-4-(4-oxo-4,5-dihydro-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67239507
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
Related reactions
10 records
Compound notes
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