Chemical Components in the PDB

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6N6 : Summary

Code

6N6

One-letter code

X

Molecule name

5-(2-thienyl)-1,3,4-thiadiazol-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine

Formula

C6 H5 N3 S2

Formal charge

0

Molecular weight

183.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1sc(nn1)c2sccc2
SMILES OpenEye OEToolkits 1.7.6 c1cc(sc1)c2nnc(s2)N
Canonical SMILES CACTVS 3.385 Nc1sc(nn1)c2sccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(sc1)c2nnc(s2)N

IUPAC InChI

InChI=1S/C6H5N3S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)

IUPAC InChI key

DADKTCVAPDOGJQ-UHFFFAOYSA-N
6N6

wwPDB Information

Atom count

16 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-04

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned