Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
Basic information
- CAS
6148-38-5- Standard SMILES
CCOC(=O)c1ccc(NC(=O)CC2SC(N)=NC2=O)cc1- InChIKey
SKMDQOQHCZFMCW-UHFFFAOYSA-N- Molecular formula
- C14H15N3O4S
- Average molar mass
- 321.35 g/mol
- Monoisotopic mass
- 321.07832714
Names & identifiers
- Preferred name
- Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
- IUPAC
- ethyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate
Names & synonyms
ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate6148-38-5F1199-0089starbld0034166DTXSID20389900ethyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoateSTL020289AKOS016085574NS-05385EU-0083753ST50069497AB00685750-01
Show more names
ethyl 4-[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetylamino]benzoateethyl 4-{[(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino}benzoateEthyl 4-[2-(2-amino-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate
Database identifiers
- CAS
6148-38-5- PubChem CID
- 3149574
- DTXSID
DTXSID20389900
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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