Chemical Components in the PDB

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G7F : Summary

Code

G7F

One-letter code

X

Molecule name

N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-methyl-~{N}-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide

Formula

C12 H16 N2 O S

Formal charge

0

Molecular weight

236.333 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(Cc1sc2CCCCc2n1)C(=O)C=C
SMILES OpenEye OEToolkits 2.0.7 CN(Cc1nc2c(s1)CCCC2)C(=O)C=C
Canonical SMILES CACTVS 3.385 CN(Cc1sc2CCCCc2n1)C(=O)C=C
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(Cc1nc2c(s1)CCCC2)C(=O)C=C

IUPAC InChI

InChI=1S/C12H16N2OS/c1-3-12(15)14(2)8-11-13-9-6-4-5-7-10(9)16-11/h3H,1,4-8H2,2H3

IUPAC InChI key

YJZOYCOTGFHVFV-UHFFFAOYSA-N
G7F

wwPDB Information

Atom count

32 (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