Chemical Components in the PDB

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HO7 : Summary

Code

HO7

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
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

Formula

C11 H11 Br N2 S

Formal charge

0

Molecular weight

283.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c3c(C2CN1CCSC1=N2)ccc(c3)Br
SMILES CACTVS 3.385 Brc1ccc(cc1)[CH]2CN3CCSC3=N2
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1C2CN3CCSC3=N2)Br
Canonical SMILES CACTVS 3.385 Brc1ccc(cc1)[C@H]2CN3CCSC3=N2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1[C@H]2CN3CCSC3=N2)Br

IUPAC InChI

InChI=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

IUPAC InChI key

HTHGAIADRJRJOY-SNVBAGLBSA-N
HO7

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-16

Last modified at

2019-02-08

Status

Released

Obsoleted

Not Assigned