Chemical Components in the PDB

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ZV2 : Summary

Code

ZV2

One-letter code

X

Molecule name

2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

Formula

C11 H11 F N3 O S

Formal charge

0

Molecular weight

252.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F
Canonical SMILES CACTVS 3.385 Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F

IUPAC InChI

InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)

IUPAC InChI key

DBANAUMFACXVKZ-UHFFFAOYSA-N
ZV2

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-05

Last modified at

2023-07-21

Status

Released

Obsoleted

Not Assigned