Chemical Components in the PDB

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Z67 : Summary

Code

Z67

One-letter code

X

Molecule name

4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
OpenEye OEToolkits 1.7.0 4-azanyl-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

Formula

C16 H13 F2 N5 O3 S2

Formal charge

0

Molecular weight

425.433 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1cccc(F)c1NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
SMILES CACTVS 3.370 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F
SMILES OpenEye OEToolkits 1.7.0 c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F
Canonical SMILES CACTVS 3.370 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F

IUPAC InChI

InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)

IUPAC InChI key

FQEUBNKUJIJESK-UHFFFAOYSA-N
Z67

wwPDB Information

Atom count

41 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-29

Last modified at

2012-10-26

Status

Released

Obsoleted

Not Assigned