Basic information
- CAS
329699-53-8- Standard SMILES
CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)cc2)n1- InChIKey
JSKRJNIPZBWPRW-UHFFFAOYSA-N- Molecular formula
- C14H13BrN2O3S
- Average molar mass
- 369.24 g/mol
- Monoisotopic mass
- 367.98303
Names & identifiers
- Preferred name
- [2-(4-Bromo-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]acetate
Names & synonyms
[2-(4-Bromo-benzoylamino)-thiazol-4-yl]-acetic acid ethyl esterBAS 00407088(2-(4-BROMO-BENZOYLAMINO)-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTEROprea1_408323Oprea1_775649MLS001211836CHEMBL1568135HMS2832D12STK022813STK582504ZINC00632378AKOS000612276
Show more names
AKOS005507027SMR000513932ST50228018ethyl 2-(2-(4-bromobenzamido)thiazol-4-yl)acetateethyl [2-(4-bromobenzamido)-1,3-thiazol-4-yl]acetateethyl {2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl}acetateethyl (2-{[(4-bromophenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetateethyl 2-{2-[(4-bromophenyl)carbonylamino]-1,3-thiazol-4-yl}acetate
Database identifiers
- CAS
329699-53-8- PubChem CID
- 985462
- ChEMBL
CHEMBL1568135- EC Number
- 167-530-3
Properties
Computed structural properties
- XLogP
- 3
- 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
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…