Chemical Components in the PDB

pdbe.org/chem
spacer

JMJ : Summary

Code

JMJ

One-letter code

X

Molecule name

N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
OpenEye OEToolkits 2.0.6 ~{N}-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

Formula

C8 H7 N3 O2 S2

Formal charge

0

Molecular weight

241.29 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2coc(C(Nc1nnc(SC)s1)=O)c2
SMILES CACTVS 3.385 CSc1sc(NC(=O)c2occc2)nn1
SMILES OpenEye OEToolkits 2.0.6 CSc1nnc(s1)NC(=O)c2ccco2
Canonical SMILES CACTVS 3.385 CSc1sc(NC(=O)c2occc2)nn1
Canonical SMILES OpenEye OEToolkits 2.0.6 CSc1nnc(s1)NC(=O)c2ccco2

IUPAC InChI

InChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12)

IUPAC InChI key

OEGYSMUYNKDGCN-UHFFFAOYSA-N
JMJ

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

2018-09-11

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned