Chemical Components in the PDB

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GVY : Summary

Code

GVY

One-letter code

X

Molecule name

4-(5-amino-1,3,4-thiadiazol-2-yl)phenol

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
OpenEye OEToolkits 2.0.6 4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenol

Formula

C8 H7 N3 O S

Formal charge

0

Molecular weight

193.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c(c1ccc(cc1)O)sc(N)n2
SMILES CACTVS 3.385 Nc1sc(nn1)c2ccc(O)cc2
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1c2nnc(s2)N)O
Canonical SMILES CACTVS 3.385 Nc1sc(nn1)c2ccc(O)cc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1c2nnc(s2)N)O

IUPAC InChI

InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)

IUPAC InChI key

ZLHDTOUWXDZDGO-UHFFFAOYSA-N
GVY

wwPDB Information

Atom count

20 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-01

Last modified at

2019-04-05

Status

Released

Obsoleted

Not Assigned