Basic information
- CAS
30761-31-0- Standard SMILES
CCOC(=O)c1csc(CCNC(=O)c2ccccc2)n1- InChIKey
KPCFTYLQQPYXOM-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.08816355
Names & identifiers
- Preferred name
- Ethyl 2-(2-benzamidoethyl)-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-(2-benzamidoethyl)-1,3-thiazole-4-carboxylate
Names & synonyms
MLS00292053730761-31-0ethyl 2-(2-benzamidoethyl)-1,3-thiazole-4-carboxylateNSC1420474-Thiazolecarboxylicacid, 2-[2-(benzoylamino)ethyl]-, ethyl esterCHEMBL2142088DTXSID70301253NSC-142047SMR001798126DS-008779
Database identifiers
- CAS
30761-31-0- PubChem CID
- 285244
- DTXSID
DTXSID70301253- ChEMBL
CHEMBL2142088
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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