N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
Basic information
- CAS
299954-17-9- Standard SMILES
NC1=NC(=O)C(CC(=O)NCc2ccccc2)S1- InChIKey
DDIPBYADEICMPZ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Names & identifiers
- Preferred name
- N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
- IUPAC
- 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide
- English name
- N-benzyl-2-(2-imino-4-oxothiazolidin-5-yl)acetamide
- Molecular formula
- C12H13N3O2S
- Molecular weight
- 263.32
Names & synonyms
N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide299954-17-92-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamideMLS000688639IFLab1_000356SCHEMBL3921265CHEMBL1408590HMS1413A04HMS2609I16AKOS016318464IDI1_008575SMR000284522
Show more names
5-Thiazoleacetamide, 2-amino-4,5-dihydro-4-oxo-N-(phenylmethyl)-
ST105231ST50272513AB00092315-01N-benzyl-2-(2-imino-4-oxothiazolidin-5-yl)acetamideZ12731042482-(2-imino-4-oxo(1,3-thiazolidin-5-yl))-N-benzylacetamide
Database identifiers
- CAS
299954-17-9- PubChem CID
- 2859342
- ChEMBL
CHEMBL1408590- EC Number
- 158-493-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 15.19 · 15.19±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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