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A1H0K : Summary
Code ![](/pdbe/static/images/help.png)
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A1H0K
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C7 H5 I N2 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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276.097 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1sc2cc(I)ccc2n1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(cc1I)sc(n2)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1sc2cc(I)ccc2n1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(cc1I)sc(n2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H5IN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WMKLSFIAHMBOTP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2023-12-15
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Last modified at ![](/pdbe/static/images/help.png)
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2024-06-14
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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