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- ChemComp-L6O: (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: L6O
NameName: (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

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Chemical information

Composition
Formula: C10H11FN2S / Number of atoms: 25 / Formula weight: 210.271 / Formal charge: 0
Others

7u3h

Type: non-polymer / PDB classification: HETAIN / Three letter code: L6O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7U3H
History
Create componentFeb 28, 2022
Initial releaseOct 5, 2022
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 12.01CC1CN=C(Nc2ccc(F)cc2)S1
CACTVS 3.385C[CH]1CN=C(Nc2ccc(F)cc2)S1
OpenEye OEToolkits 2.0.7CC1CN=C(S1)Nc2ccc(cc2)F

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SMILES CANONICAL

CACTVS 3.385C[C@@H]1CN=C(Nc2ccc(F)cc2)S1
OpenEye OEToolkits 2.0.7C[C@@H]1CN=C(S1)Nc2ccc(cc2)F

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InChI

InChI 1.03InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1

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InChIKey

InChI 1.03QAZPKSKUOOWBMI-SSDOTTSWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
OpenEye OEToolkits 2.0.7(5~{R})-~{N}-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

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PDB entries

Showing all 1 items

PDB-7u3h:
GID4 in complex with compound 7

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