5-Fluoro-2-(4'-amino-3'-iodophenyl)benzothiazole
Basic information
- Standard SMILES
Nc1ccc(-c2nc3cc(F)ccc3s2)cc1I- InChIKey
IMJKFJZKKOFDFI-UHFFFAOYSA-N- Molecular formula
- C13H8FIN2S
- Average molar mass
- 370.19 g/mol
- Monoisotopic mass
- 369.9437
Names & identifiers
- Preferred name
- 5-Fluoro-2-(4'-amino-3'-iodophenyl)benzothiazole
- IUPAC
- 4-(5-fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline
Names & synonyms
NSC709926CHEMBL32818SCHEMBL5691313SCHEMBL30966564IMJKFJZKKOFDFI-UHFFFAOYSA-NNSC-709926NCI60_0387055-Fluoro-2-(4'-amino-3'-iodophenyl)benzothiazole
Database identifiers
- PubChem CID
- 399249
- ChEMBL
CHEMBL32818- Nikkaji
- J1.875.609I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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