Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZTI : Summary

Code

ZTI

One-letter code

X

Molecule name

4-pyridin-2-yl-1,3-thiazol-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-pyridin-2-yl-1,3-thiazol-2-amine

Formula

C8 H7 N3 S

Formal charge

0

Molecular weight

177.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1scc(n1)c2ccccn2
SMILES OpenEye OEToolkits 2.0.7 c1ccnc(c1)c2csc(n2)N
Canonical SMILES CACTVS 3.385 Nc1scc(n1)c2ccccn2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccnc(c1)c2csc(n2)N

IUPAC InChI

InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H,(H2,9,11)

IUPAC InChI key

BLKHMTAXNXLDJP-UHFFFAOYSA-N
ZTI

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-04

Last modified at

2023-08-18

Status

Released

Obsoleted

Not Assigned