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- ChemComp-K24: N,2-dimethyl-1,3-thiazole-5-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: K24
NameName: N,2-dimethyl-1,3-thiazole-5-carboxamide

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Chemical information

Composition
Formula: C6H8N2OS / Number of atoms: 18 / Formula weight: 156.206 / Formal charge: 0
Others

5qjt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K24 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QJT
History
Create componentOct 25, 2018
Initial releaseDec 19, 2018
External linksUniChem / ChemSpider / 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 12.01n1cc(C(NC)=O)sc1C
CACTVS 3.385CNC(=O)c1sc(C)nc1
OpenEye OEToolkits 2.0.6Cc1ncc(s1)C(=O)NC

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SMILES CANONICAL

CACTVS 3.385CNC(=O)c1sc(C)nc1
OpenEye OEToolkits 2.0.6Cc1ncc(s1)C(=O)NC

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InChI

InChI 1.03InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)

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InChIKey

InChI 1.03PUIJVJNJITYIIM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,2-dimethyl-1,3-thiazole-5-carboxamide
OpenEye OEToolkits 2.0.6~{N},2-dimethyl-1,3-thiazole-5-carboxamide

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PDB entries

Showing all 3 items

PDB-5qjt:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z969560582

PDB-7h3n:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z851110644 (A71EV2A-x0446)

PDB-7hkm:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z851110644 (DNV2_NS5A-x0288)

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