Chemical Components in the PDB

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OLU : Summary

Code

OLU

One-letter code

X

Molecule name

2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one
OpenEye OEToolkits 1.5.0 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one

Formula

C10 H6 N2 O2 S2

Formal charge

0

Molecular weight

250.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N=C(SC1)c2sc3c(n2)ccc(O)c3
SMILES CACTVS 3.341 Oc1ccc2nc(sc2c1)C3=NC(=O)CS3
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3
Canonical SMILES CACTVS 3.341 Oc1ccc2nc(sc2c1)C3=NC(=O)CS3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3

IUPAC InChI

InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2

IUPAC InChI key

JJVOROULKOMTKG-UHFFFAOYSA-N
OLU

wwPDB Information

Atom count

22 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-06

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned