General
Preferred name
Thioisonicotinamide
Synonyms
Pyridine-4-carbothioamide ()
Isothionicotinamide ()
4-Pyridylthiocarboxamide ()
4-Pyridylthioamide ()
Pyridine-4-carbothioamide, Isothionicotinamide, 4-Pyridylthiocarboxamide ()
P&D ID
PD021257
CAS
2196-13-6
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Thioisonicotinamide (4-Pyridylthioamide) is a synthetic intermediate used for pharmaceutical synthesis.
PRICE
29
DESCRIPTION
Thioisonicotinamide (Isothionicotinamide) is a chemical based on the nicotinamide structure, but in which the amide is in the 4-position and not the 3-position.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
138.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.72
TPSA
38.91
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Tubercle bacillus
Drug intermediate
Pathway
Microbiology/virology
Source data
