Chemical Components in the PDB

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2I3 : Summary

Code

2I3

One-letter code

X

Molecule name

6-chloranylimidazo[2,1-b][1,3]thiazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-chloranylimidazo[2,1-b][1,3]thiazole

Formula

C5 H3 Cl N2 S

Formal charge

0

Molecular weight

158.609 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1cn2ccsc2n1
SMILES OpenEye OEToolkits 2.0.7 c1csc2n1cc(n2)Cl
Canonical SMILES CACTVS 3.385 Clc1cn2ccsc2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1csc2n1cc(n2)Cl

IUPAC InChI

InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H

IUPAC InChI key

WOZMDYAJHVHPMD-UHFFFAOYSA-N
2I3

wwPDB Information

Atom count

12 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-01-26

Last modified at

2022-04-22

Status

Released

Obsoleted

Not Assigned