Basic information
- CAS
82326-29-2- Standard SMILES
CC(=O)NCCc1nc(-c2nc(C(=O)O)cs2)cs1- InChIKey
XSOXMYHZZZEMME-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3S2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.02418357
Names & identifiers
- Preferred name
- 2-[2-(2-Acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
- IUPAC
- 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
NSC28751082326-29-22-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acidDTXSID50314705NSC-2875102'-(2-Acetamidoethyl)[2,4'-bi-1,3-thiazole]-4-carboxylic acid2'-[2-(Acetylamino)ethyl]-2,4'-bi-1,3-thiazole-4-carboxylic acid2-[2-(2-acetamidoethyl)thiazol-4-yl]thiazole-4-carboxylic acid
Database identifiers
- CAS
82326-29-2- PubChem CID
- 324009
- DTXSID
DTXSID50314705
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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