Chemical Components in the PDB

pdbe.org/chem
spacer

DYC : Summary

Code

DYC

One-letter code

X

Molecule name

3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

Formula

C11 H7 Br N2 S

Formal charge

0

Molecular weight

279.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1ccc(cc1)c2csc3nccn23
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2csc3n2ccn3)Br
Canonical SMILES CACTVS 3.385 Brc1ccc(cc1)c2csc3nccn23
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2csc3n2ccn3)Br

IUPAC InChI

InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H

IUPAC InChI key

LVDOGHLCDFUJNK-UHFFFAOYSA-N
DYC

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-18

Last modified at

2020-03-20

Status

Released

Obsoleted

Not Assigned