Chemical Components in the PDB

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TMG : Summary

Code

TMG

One-letter code

X

Molecule name

2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(1,3-thiazol-4-yl)-1H-benzimidazole
OpenEye OEToolkits 1.5.0 2-(1,3-thiazol-4-yl)-1H-benzimidazole

Formula

C10 H7 N3 S

Formal charge

0

Molecular weight

201.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1c(cccc1)nc2c3ncsc3
SMILES CACTVS 3.341 [nH]1c2ccccc2nc1c3cscn3
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]c(n2)c3cscn3
Canonical SMILES CACTVS 3.341 [nH]1c2ccccc2nc1c3cscn3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]c(n2)c3cscn3

IUPAC InChI

InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)

IUPAC InChI key

WJCNZQLZVWNLKY-UHFFFAOYSA-N
TMG

wwPDB Information

Atom count

21 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-25

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned