[(2z)-2-(Cyclohexylimino)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Basic information
- CAS
39964-54-0- Standard SMILES
Cc1ccccc1N1C(=O)C(CC(=O)O)SC1=NC1CCCCC1- InChIKey
DFYMSSYLAPFLCW-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13511374
Names & identifiers
- Preferred name
- [(2z)-2-(Cyclohexylimino)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
- IUPAC
- 2-[2-cyclohexylimino-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
[(2z)-2-(cyclohexylimino)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acidBRN 057623039964-54-02-(Cyclohexylimino)-4-oxo-3-(o-tolyl)-5-thiazolidineacetic acid5-Thiazolidineacetic acid, 2-(cyclohexylimino)-3-(2-methylphenyl)-4-oxo-5-Thiazolidineacetic acid, 2-(cyclohexylimino)-4-oxo-3-(o-tolyl)-AG-670/13266018[2-(cyclohexylimino)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Database identifiers
- CAS
39964-54-0- PubChem CID
- 217971
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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