2-(Cyclopentylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid
Basic information
- CAS
39964-47-1- Standard SMILES
Cc1ccc(N2C(=O)C(CC(=O)O)SC2=NC2CCCC2)cc1- InChIKey
MCPLZFZBJMNRKU-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.11946368
Names & identifiers
- Preferred name
- 2-(Cyclopentylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid
- IUPAC
- 2-[2-cyclopentylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
BRN 05703582-(Cyclopentylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid39964-47-15-Thiazolidineacetic acid, 2-(cyclopentylimino)-3-(4-methylphenyl)-4-oxo-5-Thiazolidineacetic acid, 2-(cyclopentylimino)-4-oxo-3-(p-tolyl)-
Database identifiers
- CAS
39964-47-1- PubChem CID
- 217965
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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