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- ChemComp-ZTI: 4-pyridin-2-yl-1,3-thiazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: ZTI
NameName: 4-pyridin-2-yl-1,3-thiazol-2-amine

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Chemical information

Composition
Formula: C8H7N3S / Number of atoms: 19 / Formula weight: 177.226 / Formal charge: 0
Others

8poi

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZTI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8POI
History
Create componentJul 4, 2023
Initial releaseAug 23, 2023
External linksUniChem / ChemSpider / Brenda / ChemicalBook / CompTox / Nikkaji / 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

CACTVS 3.385Nc1scc(n1)c2ccccn2
OpenEye OEToolkits 2.0.7c1ccnc(c1)c2csc(n2)N

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SMILES CANONICAL

CACTVS 3.385Nc1scc(n1)c2ccccn2
OpenEye OEToolkits 2.0.7c1ccnc(c1)c2csc(n2)N

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InChI

InChI 1.06InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H,(H2,9,11)

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InChIKey

InChI 1.06BLKHMTAXNXLDJP-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8poi:
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine

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