5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
Basic information
- CAS
765285-30-1- Standard SMILES
Cc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1- InChIKey
HBUCVXKBBXGWDJ-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O2S
- Average molar mass
- 337.19 g/mol
- Monoisotopic mass
- 335.95681
Names & identifiers
- Preferred name
- 5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
- IUPAC
- 5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
Names & synonyms
5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamideMLS001018846CHEMBL1613363DTXSID801320281HMS2705P03AKOS008917792765285-30-1SMR000385425SR-01000055824SR-01000055824-1Z28296725F0537-1193
Show more names
5-bromo-N-(2-methylbenzo[d]thiazol-6-yl)furan-2-carboxamide
Database identifiers
- CAS
765285-30-1- PubChem CID
- 2101616
- DTXSID
DTXSID801320281- ChEMBL
CHEMBL1613363
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility5.1 [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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