Chemical Components in the PDB

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Z60 : Summary

Code

Z60

One-letter code

X

Molecule name

[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
OpenEye OEToolkits 1.7.2 [4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-chloranylthiophen-2-yl)methanone

Formula

C11 H10 Cl N3 O S2

Formal charge

0

Molecular weight

299.8 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1sc(cc1)C(=O)c2sc(nc2N)NC\C=C
SMILES CACTVS 3.370 Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2
SMILES OpenEye OEToolkits 1.7.2 C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N
Canonical SMILES CACTVS 3.370 Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2
Canonical SMILES OpenEye OEToolkits 1.7.2 C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N

IUPAC InChI

InChI=1S/C11H10ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)

IUPAC InChI key

KOFQZAVTXLVRJI-UHFFFAOYSA-N
Z60

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-13

Last modified at

2012-10-26

Status

Released

Obsoleted

Not Assigned