Chemical Components in the PDB

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ZFY : Summary

Code

ZFY

One-letter code

X

Molecule name

2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
OpenEye OEToolkits 2.0.7 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-~{N}-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]propanamide

Formula

C20 H19 F3 N6 O3 S2

Formal charge

0

Molecular weight

512.528 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F)C1CC1
SMILES CACTVS 3.385 CC(C)(C(=O)Nc1ccc(cn1)c2cncc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n3
SMILES OpenEye OEToolkits 2.0.7 CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F
Canonical SMILES CACTVS 3.385 CC(C)(C(=O)Nc1ccc(cn1)c2cncc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n3
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F

IUPAC InChI

InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)

IUPAC InChI key

CZIDGRDZSFIUHX-UHFFFAOYSA-N
ZFY

wwPDB Information

Atom count

53 (34 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-19

Last modified at

2021-10-08

Status

Released

Obsoleted

Not Assigned