A1H0M

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

Created:	2023-12-15
Last modified:	2024-06-19

Find Related PDB Entry
1 entries where A1H0M 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 A1H0M

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-bromanyl-1,3-benzothiazol-2-amine
Systematic Name (OpenEye OEToolkits)	6-bromanyl-1,3-benzothiazol-2-amine
Formula	C₇ H₅ Br N₂ S
Molecular Weight	229.097
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1sc2cc(Br)ccc2n1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Br)sc(n2)N
Canonical SMILES	CACTVS	3.385	Nc1sc2cc(Br)ccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Br)sc(n2)N
InChI	InChI	1.06	InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey	InChI	1.06	VZEBSJIOUMDNLY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	85149
ChEMBL	CHEMBL98352
CCDC/CSD	CIXMED, BASZAY, CIXBUI, BASYOL, BASYUR, BASYUR01, CEHGON
COD	2236286

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.