FBB

6-fluoro-1,3-benzothiazol-2-amine

Created:	2012-03-28
Last modified:	2013-01-25

Find Related PDB Entry
8 entries where FBB is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of FBB

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-fluoro-1,3-benzothiazol-2-amine
Systematic Name (OpenEye OEToolkits)	6-fluoranyl-1,3-benzothiazol-2-amine
Formula	C₇ H₅ F N₂ S
Molecular Weight	168.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc2nc(sc2c1)N
SMILES	CACTVS	3.370	Nc1sc2cc(F)ccc2n1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1F)sc(n2)N
Canonical SMILES	CACTVS	3.370	Nc1sc2cc(F)ccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1F)sc(n2)N
InChI	InChI	1.03	InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey	InChI	1.03	CJLUXPZQUXVJNF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	319954
ChEMBL	CHEMBL98406
CCDC/CSD	TOHJEF
COD	2005966

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.