Basic information
- CAS
368440-91-9- Standard SMILES
CC(C)(C)OC(=O)C1Cc2nc(C(=O)O)sc2CN1- InChIKey
DRXBVELTHXMYJZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307799
Names & identifiers
- Preferred name
- 6-Boc-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridine-2-carboxylic acid
- IUPAC
- 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
Names & synonyms
6-Boc-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridine-2-carboxylic acidSCHEMBL6196667DRXBVELTHXMYJZ-UHFFFAOYSA-NDTXSID201133080SB34139368440-91-96-(1,1-Dimethylethyl) 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2,6-dicarboxylate6-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid6-tert-butoxycarbonyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid
Database identifiers
- CAS
368440-91-9- PubChem CID
- 22709449
- DTXSID
DTXSID201133080
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
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