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- ChemComp-HO7: (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole -

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Basic information

EntryDatabase: PDB chemical components / ID: HO7
NameName: (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

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Chemical information

Composition
Formula: C11H11BrN2S / Number of atoms: 26 / Formula weight: 283.187 / Formal charge: 0
Others

6e3t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HO7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6E3T
History
Create componentJul 16, 2018
Initial releaseFeb 13, 2019
External linksUniChem / ChemSpider / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 12.01c3c(C2CN1CCSC1=N2)ccc(c3)Br
CACTVS 3.385Brc1ccc(cc1)[CH]2CN3CCSC3=N2
OpenEye OEToolkits 2.0.6c1cc(ccc1C2CN3CCSC3=N2)Br

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SMILES CANONICAL

CACTVS 3.385Brc1ccc(cc1)[C@H]2CN3CCSC3=N2
OpenEye OEToolkits 2.0.6c1cc(ccc1[C@H]2CN3CCSC3=N2)Br

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InChI

InChI 1.03InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1

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InChIKey

InChI 1.03HTHGAIADRJRJOY-SNVBAGLBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
OpenEye OEToolkits 2.0.6(6~{S})-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

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PDB entries

Showing all 1 items

PDB-6e3t:
Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001

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