LRF
N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
Created: | 2022-03-04 |
Last modified: | 2022-03-16 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 24 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
---|---|
Name | N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide |
Systematic Name (OpenEye OEToolkits) | 2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)-methyl-amino]ethanamide |
Formula | C8 H10 N4 O S |
Molecular Weight | 210.256 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1c(snc1C)N(C)CC(N)=O |
SMILES | CACTVS | 3.385 | CN(CC(N)=O)c1snc(C)c1C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(sn1)N(C)CC(=O)N)C#N |
Canonical SMILES | CACTVS | 3.385 | CN(CC(N)=O)c1snc(C)c1C#N |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(sn1)N(C)CC(=O)N)C#N |
InChI | InChI | 1.03 | InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13) |
InChIKey | InChI | 1.03 | BCFQGXBWVPWHCV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 121557884 |