Chemical Components in the PDB

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AMT : Summary

Code

AMT

One-letter code

X

Molecule name

2-AMINOTHIAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,3-thiazol-2-amine
OpenEye OEToolkits 1.5.0 1,3-thiazol-2-amine

Formula

C3 H4 N2 S

Formal charge

0

Molecular weight

100.142 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccsc1N
SMILES CACTVS 3.341 Nc1sccn1
SMILES OpenEye OEToolkits 1.5.0 c1csc(n1)N
Canonical SMILES CACTVS 3.341 Nc1sccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1csc(n1)N

IUPAC InChI

InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)

IUPAC InChI key

RAIPHJJURHTUIC-UHFFFAOYSA-N
AMT

wwPDB Information

Atom count

10 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned