Chemical Components in the PDB

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S0V : Summary

Code

S0V

One-letter code

X

Molecule name

morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone

Formula

C7 H9 N3 O2 S

Formal charge

0

Molecular weight

199.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C(N1CCOCC1)c2csnn2
SMILES OpenEye OEToolkits 2.0.6 c1c(nns1)C(=O)N2CCOCC2
Canonical SMILES CACTVS 3.385 O=C(N1CCOCC1)c2csnn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c(nns1)C(=O)N2CCOCC2

IUPAC InChI

InChI=1S/C7H9N3O2S/c11-7(6-5-13-9-8-6)10-1-3-12-4-2-10/h5H,1-4H2

IUPAC InChI key

BPUDGPLMUNVDOA-UHFFFAOYSA-N
S0V

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-03

Last modified at

2020-06-26

Status

Released

Obsoleted

Not Assigned