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- ChemComp-RWS: 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: RWS
NameName: 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine

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Chemical information

Composition
Formula: C8H13N3S / Number of atoms: 25 / Formula weight: 183.274 / Formal charge: 0
Others

5r5t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RWS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R5T
History
Create componentFeb 28, 2020
Initial releaseOct 28, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01n1nc(C)sc1N2CCCCC2
CACTVS 3.385Cc1sc(nn1)N2CCCCC2
OpenEye OEToolkits 2.0.6Cc1nnc(s1)N2CCCCC2

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SMILES CANONICAL

CACTVS 3.385Cc1sc(nn1)N2CCCCC2
OpenEye OEToolkits 2.0.6Cc1nnc(s1)N2CCCCC2

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InChI

InChI 1.03InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3

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InChIKey

InChI 1.03IIDJDXATFNHHGO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
OpenEye OEToolkits 2.0.62-methyl-5-piperidin-1-yl-1,3,4-thiadiazole

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PDB entries

Showing all 4 items

PDB-5r5t:
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1251207602

PDB-5s51:
Tubulin-Z1251207602-complex

PDB-7g8l:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1251207602

PDB-7hnl:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1251207602

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