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RWS : Summary
Code ![](/pdbe/static/images/help.png)
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RWS
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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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1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
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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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C8 H13 N3 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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183.274 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1nc(C)sc1N2CCCCC2 |
SMILES
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CACTVS |
3.385 |
Cc1sc(nn1)N2CCCCC2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1nnc(s1)N2CCCCC2 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1sc(nn1)N2CCCCC2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1nnc(s1)N2CCCCC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IIDJDXATFNHHGO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (12 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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2020-02-28
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Last modified at ![](/pdbe/static/images/help.png)
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2020-10-23
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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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