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- ChemComp-WHV: (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: WHV
NameName: (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine

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Chemical information

Composition
Formula: C8H14N2S / Number of atoms: 25 / Formula weight: 170.275 / Formal charge: 0
Others

5rzk

Type: non-polymer / PDB classification: HETAIN / Three letter code: WHV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RZK
History
Create componentOct 30, 2020
Initial releaseNov 11, 2020
External linksUniChem / ChemSpider / PubChem / 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 12.01n1c(C)c(C(NC)C)sc1C
CACTVS 3.385CN[CH](C)c1sc(C)nc1C
OpenEye OEToolkits 2.0.7Cc1c(sc(n1)C)C(C)NC

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SMILES CANONICAL

CACTVS 3.385CN[C@@H](C)c1sc(C)nc1C
OpenEye OEToolkits 2.0.7Cc1c(sc(n1)C)[C@@H](C)NC

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InChI

InChI 1.03InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1

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InChIKey

InChI 1.03YVLIGMQLZXNHQN-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
OpenEye OEToolkits 2.0.7(1~{R})-1-(2,4-dimethyl-1,3-thiazol-5-yl)-~{N}-methyl-ethanamine

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PDB entries

Showing all 2 items

PDB-5ryf:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1266823232

PDB-5rzk:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1266823232

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