PDB Chemical Component TP5

Ideal Model

Chemical Description

Name THIOPHENE-3-CARBOXIMIDAMIDE
Formula C5 H6 N2 S
Formal charge 0
Molecular weight 126.180 g/mol
Component type NON-POLYMER

Chemical features

Atom count 14
Chiral atom count 0
Bond count 14
Aromatic bond count 5

Chemical Identifiers

Systematic name (ACDLabs) thiophene-3-carboximidamide
Systematic name (OpenEye OEToolkits) thiophene-3-carboximidamide

Chemical Descriptors

Stereo SMILES (CACTVS) NC(=N)c1cscc1
SMILES (CACTVS) NC(=N)c1cscc1
Stereo SMILES (OpenEye) [H]/N=C(\c1ccsc1)/N
InChI descriptor InChI=1/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/f/h6H,7H2/b6-5+
InChIKey descriptor JKCKRNYECSTMLV-BXCNFMTODH

Status Information

Last modified 2008-10-14
Created 2005-09-13
Release status REL
Model PDB code 2AS1
Processing site EBI