N-(5-methyl-4-phenyl-thiazol-2-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005200
- Name
- N-(5-methyl-4-phenyl-thiazol-2-yl)prop-2-enamide
- Molecular Formula
- C13H12N2OS
- Molecular Weight
- 244.067034 g/mol
- Structure
-
- IUPAC Name
- N-(5-methyl-4-phenyl-thiazol-2-yl)prop-2-enamide
- InChI
- InChI=1S/C13H12N2OS/c1-3-11(16)14-13-15-12(9(2)17-13)10-7-5-4-6-8-10/h3-8H,1H2,2H3,(H,14,15,16)
- InChI Key
- WEFWFGQBBJPBBX-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1nc(-c2ccccc2)c(C)s1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
244.067034 g/mol
Computed by RDKit
- logP
-
3.342
Computed by ALOGPS
- logS
-
-5.268
Computed by ALOGPS
- Heavy Atom Count
-
17
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
41.99 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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bioactivity
| Object | Object Type | Activity Type | Relation | Value | Unit | Assay | Reference |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.