Ethyl {2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl}acetate
Basic information
- CAS
330197-69-8- Standard SMILES
CCOC(=O)Cc1csc(NC(=O)c2cccc(Cl)c2)n1- InChIKey
SQNYNBRUIHOWFV-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O3S
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.0335411
Names & identifiers
- Preferred name
- Ethyl {2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl}acetate
- IUPAC
- ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
- English name
- (2-(3-Chloro-benzoylamino)-thiazol-4-yl)-acetic acid ethyl ester
- Molecular formula
- C14H13ClN2O3S
- Molecular weight
- 324.78
Names & synonyms
ethyl {2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl}acetateOprea1_216936Oprea1_647910MLS001143403CHEMBL1706907HMS2796L16STK226035AKOS000612278CCG-245932SMR000473238(2-(3-CHLORO-BENZOYLAMINO)-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTERethyl (2-{[(3-chlorophenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
Show more names
4-Thiazoleacetic acid, 2-[(3-chlorobenzoyl)amino]-, ethyl ester
Database identifiers
- CAS
330197-69-8- PubChem CID
- 703563
- ChEMBL
CHEMBL1706907- EC Number
- 148-700-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
Solubility6.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.398 · 1.398±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.918 · 8.918±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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