2-(3,4,5-Trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Basic information
- CAS
72678-94-5- Standard SMILES
COc1cc(C2NC(C(=O)O)CS2)cc(OC)c1OC- InChIKey
LZYQCYSHBONTGC-UHFFFAOYSA-N- Molecular formula
- C13H17NO5S
- Average molar mass
- 299.34 g/mol
- Monoisotopic mass
- 299.08274382
Names & identifiers
- Preferred name
- 2-(3,4,5-Trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
- English name
- 2-(3,4,5-TRIMETHOXYPHENYL)-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
- Molecular formula
- C13H17NO5S
- Molecular weight
- 299.34
Names & synonyms
72678-94-52-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid2-(3,4,5-trimethoxyphenyl)thiazolidine-4-carboxylic acid2-(3,4,5-Trimethoxy-phenyl)-thiazolidine-4-carboxylic acidMFCD00170658F0920-6916637032-02-1(2R)-2-(3,4,5-Trimethoxyphenyl)thiazolidine-4-carboxylic acidNSC303521DTXSID50316426SMSSF-0062444MAB03202
Show more names
2-(3,4,5-Trimethoxyphenyl)-4-thiazolidinecarboxylic Acid4-Thiazolidinecarboxylic acid, 2-(3,4,5-trimethoxyphenyl)(4S)-2-(3,4,5-trimethoxyphenyl)thiazolidine-4-carboxylic acid(4R)-2-(3,4,5-trimethoxyphenyl)thiazolidine-4-carboxylic acid(4R)-2-(3,4,5-trimethoxyphenyl)-4-thiazolidinecarboxylic acid(4R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CCG-34065SBB062025AKOS000175088AKOS016050586MS-6547NSC-303521SB49808FT124748
Database identifiers
- CAS
72678-94-5- PubChem CID
- 327600
- DTXSID
DTXSID50316426
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 493.6 · 493.6±45.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 1.93 · 1.93±0.40(Predicted)
Chemistry & industry
Applications
Uses2-(3,4,5-Trimethoxy-phenyl)-thiazolidine-4-carboxylic Acid is used in the preparation of phenylthiazolidinecarboxamides as platelet activating factor (PAF) inhibitors
Upstream & downstream products
Upstream raw materials
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Compound notes
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