Molecular Details
DICL_CP_0313735
- N-(4-methyl-1,3-thiazol-2-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313735
PubChem CID
Molecular Formula
C11H10N2OS Molecular Weight
218.281 g/mol
Synonyms/Alias
[N-(4-methylthiazol-2-yl)benzamide; 37529-67-2; N-(4-methyl-1;3-thiazol-2-yl)benzamide; CHEMBL209410; N-(4-Methyl-thiazol-2-yl)-benzamide; Enamine_001521; TimTec1_007096; MLS001212480; N6QHC7G324; SCH...
InChI Key
NEPIZAVYXKHUCD-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2OS/c1-8-7-15-11(12-8)13-10(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
IUPAC Name
N-(4-methyl-1,3-thiazol-2-yl)benzamide
CAS Number
185103-81-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
4.8191 1.0886 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7963 0.0048 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 -1.335...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel) (detaF508-CFTR)
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
A549 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
2
logP
2.7038
Complexity
61.2462
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2