A1H0K

6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine

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

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1 entries where A1H0K is found as a standalone ligand

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

2D diagram of A1H0K

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Chemical Component Summary
Name	6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine
Systematic Name (OpenEye OEToolkits)	6-iodanyl-1,3-benzothiazol-2-amine
Formula	C₇ H₅ I N₂ S
Molecular Weight	276.097
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1sc2cc(I)ccc2n1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1I)sc(n2)N
Canonical SMILES	CACTVS	3.385	Nc1sc2cc(I)ccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1I)sc(n2)N
InChI	InChI	1.06	InChI=1S/C7H5IN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey	InChI	1.06	WMKLSFIAHMBOTP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3524848
ChEMBL	CHEMBL95612

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.