3-Carboxy-N-(3-methyl-2-thiazolidinylidene)propionamide

Substructure search Find similar structures

Basic information

CAS: 65400-82-0
Standard SMILES: CN1CCSC1=NC(=O)CCC(=O)O
InChIKey: BJLULHPWVYLSSI-UHFFFAOYSA-N
Molecular formula: C8H12N2O3S
Average molar mass: 216.26 g/mol
Monoisotopic mass: 216.05686342

Names & identifiers

Preferred name: 3-Carboxy-N-(3-methyl-2-thiazolidinylidene)propionamide
IUPAC: 4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]-4-oxobutanoic acid

Names & synonyms

3-Carboxy-N-(3-methyl-2-thiazolidinylidene)propionamide65400-82-0BRN 1116753Succinic acid, 3-methyl-2-thiazolidinylidene amidePropionamide, 3-carboxy-N-(3-methyl-2-thiazolidinylidene)-BUTYRIC ACID, 4-(3-METHYL-2-THIAZOLIDINYLIDENEAMINO)-4-OXO-CHEMBL163667

Database identifiers

CAS: 65400-82-0
PubChem CID: 47615
ChEMBL: CHEMBL163667
Nikkaji: J67.397H

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 95.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 278

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…