Chemical Components in the PDB

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25T : Summary

Code

25T

One-letter code

X

Molecule name

2-AMINO-5-METHYLTHIAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-5-methyl-1,3-thiazol-3-ium
OpenEye OEToolkits 1.5.0 5-methyl-1,3-thiazol-3-ium-2-amine

Formula

C4 H7 N2 S

Formal charge

1

Molecular weight

115.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 s1c(c[nH+]c1N)C
SMILES CACTVS 3.341 Cc1sc(N)[nH+]c1
SMILES OpenEye OEToolkits 1.5.0 Cc1c[nH+]c(s1)N
Canonical SMILES CACTVS 3.341 Cc1sc(N)[nH+]c1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c[nH+]c(s1)N

IUPAC InChI

InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)/p+1

IUPAC InChI key

GUABFMPMKJGSBQ-UHFFFAOYSA-O
25T

wwPDB Information

Atom count

14 (7 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