2-(5-Bromo-2-fluorophenyl)-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid
Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1sc(-c2cc(Br)ccc2F)nc1C(=O)O- InChIKey
ZCHCSYNILJGMJX-UHFFFAOYSA-N- Molecular formula
- C15H14BrFN2O4S
- Average molar mass
- 417.3 g/mol
Names & identifiers
- Preferred name
- 2-(5-Bromo-2-fluorophenyl)-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid
- IUPAC
- 2-(5-bromo-2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
Names & synonyms
1270034-27-92-(5-Bromo-2-fluorophenyl)-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid2-(5-Bromo-2-fluorophenyl)-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylicacidSCHEMBL2521268ZCHCSYNILJGMJX-UHFFFAOYSA-N2-(5-bromo-2-fluorophenyl)-5-(tert-butoxycarbonylamino)thiazole-4-carboxylic acidDB-121727
Database identifiers
- PubChem CID
- 67437597
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
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Related reactions
2 records
Compound notes
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