Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

G7L : Summary

Code

G7L

One-letter code

X

Molecule name

N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

Formula

C9 H9 F3 N2 O S

Formal charge

0

Molecular weight

250.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C
SMILES OpenEye OEToolkits 2.0.7 CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C
Canonical SMILES CACTVS 3.385 CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C

IUPAC InChI

InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3

IUPAC InChI key

ZPJNBQRFMJDXHX-UHFFFAOYSA-N
G7L

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-04

Last modified at

2022-06-17

Status

Released

Obsoleted

Not Assigned