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- ChemComp-WMS: 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: WMS
NameName: 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

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Chemical information

Composition
Formula: C10H10FN3S / Number of atoms: 25 / Formula weight: 223.27 / Formal charge: 0
Others

5rwf

Type: non-polymer / PDB classification: HETAIN / Three letter code: WMS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RWF
History
Create componentOct 30, 2020
Initial releaseNov 11, 2020
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 12.01Cc1ncc(s1)CNc2cc(cnc2)F
CACTVS 3.385Cc1sc(CNc2cncc(F)c2)cn1
OpenEye OEToolkits 2.0.7Cc1ncc(s1)CNc2cc(cnc2)F

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SMILES CANONICAL

CACTVS 3.385Cc1sc(CNc2cncc(F)c2)cn1
OpenEye OEToolkits 2.0.7Cc1ncc(s1)CNc2cc(cnc2)F

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InChI

InChI 1.03InChI=1S/C10H10FN3S/c1-7-13-5-10(15-7)6-14-9-2-8(11)3-12-4-9/h2-5,14H,6H2,1H3

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InChIKey

InChI 1.03SSOIKBIBPGCZFT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
OpenEye OEToolkits 2.0.75-fluoranyl-~{N}-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

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PDB entries

Showing all 2 items

PDB-5rwf:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1983897532

PDB-7hkt:
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 Z1983897532 (DNV2_NS5A-x0615)

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