Chemical Components in the PDB

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FDZ : Summary

Code

FDZ

One-letter code

X

Molecule name

1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
OpenEye OEToolkits 2.0.4 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethyloxy)phenyl]urea

Formula

C10 H7 F3 N4 O2 S

Formal charge

0

Molecular weight

304.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2
SMILES CACTVS 3.385 FC(F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1
SMILES OpenEye OEToolkits 2.0.4 c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2
Canonical SMILES CACTVS 3.385 FC(F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1
Canonical SMILES OpenEye OEToolkits 2.0.4 c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2

IUPAC InChI

InChI=1S/C10H7F3N4O2S/c11-10(12,13)19-7-3-1-2-6(4-7)15-9(18)16-8-5-14-17-20-8/h1-5H,(H2,15,16,18)

IUPAC InChI key

CKHACPXJTNTCBW-UHFFFAOYSA-N
FDZ

wwPDB Information

Atom count

27 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-18

Last modified at

2016-07-22

Status

Released

Obsoleted

Not Assigned