Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZMG : Summary

Code

ZMG

One-letter code

X

Molecule name

(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one

Synonyms

(R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one

Systematic names

ProgramVersionName
ACDLabs 10.04 (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
OpenEye OEToolkits 1.5.0 (5R)-2-[(2-fluorophenyl)amino]-5-propan-2-yl-1,3-thiazol-4-one

Formula

C12 H13 F N2 O S

Formal charge

0

Molecular weight

252.308 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc1ccccc1NC2=NC(=O)C(S2)C(C)C
SMILES CACTVS 3.341 CC(C)[CH]1SC(=NC1=O)Nc2ccccc2F
SMILES OpenEye OEToolkits 1.5.0 CC(C)C1C(=O)N=C(S1)Nc2ccccc2F
Canonical SMILES CACTVS 3.341 CC(C)[C@H]1SC(=NC1=O)Nc2ccccc2F
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F

IUPAC InChI

InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1

IUPAC InChI key

OJJBBNIYQKFZDK-SNVBAGLBSA-N
ZMG

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-01-09

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned