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- ChemComp-T7L: 2-phenyl-1,3-thiazole-5-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: T7L
NameName: 2-phenyl-1,3-thiazole-5-carboxylic acid

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Chemical information

Composition
Formula: C10H7NO2S / Number of atoms: 21 / Formula weight: 205.233 / Formal charge: 0
Others

7gqc

Type: non-polymer / PDB classification: HETAIN / Three letter code: T7L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GQC
History
Create componentAug 28, 2023
Initial releaseNov 29, 2023
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 12.01O=C(O)c1cnc(s1)c1ccccc1
CACTVS 3.385OC(=O)c1sc(nc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(s2)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1sc(nc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(s2)C(=O)O

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InChI

InChI 1.06InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)

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InChIKey

InChI 1.06LCALUFNLWHYTKX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-phenyl-1,3-thiazole-5-carboxylic acid
OpenEye OEToolkits 2.0.72-phenyl-1,3-thiazole-5-carboxylic acid

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PDB entries

Showing all 2 items

PDB-7gqc:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z315923746

PDB-7h4u:
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 Z315923746 (A71EV2A-x1109)

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