Ethyl 4-benzamido-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Basic information
- CAS
371210-22-9- Standard SMILES
CCOC(=O)c1sc(=S)n(CC)c1NC(=O)c1ccccc1- InChIKey
KQCYUUULXWTKHQ-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.06023472
Names & identifiers
- Preferred name
- Ethyl 4-benzamido-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 4-benzamido-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Names & synonyms
ethyl 4-benzamido-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate371210-22-9MLS001012325CHEMBL1417081DTXSID301323559HMS2808K18STK539421AKOS001043230SMR000425098Z56869007ethyl 4-benzamido-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate4-Benzoylamino-3-ethyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
Show more names
ethyl 3-ethyl-4-[(phenylcarbonyl)amino]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylateEthyl 4-benzamido-3-ethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
371210-22-9- PubChem CID
- 947089
- DTXSID
DTXSID301323559- ChEMBL
CHEMBL1417081
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 499
Experimental & physicochemical properties
Solubility8.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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