N-(2-morpholino-2-oxo-ethyl)-N-(4-phenylthiazol-2-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005208
- Name
- N-(2-morpholino-2-oxo-ethyl)-N-(4-phenylthiazol-2-yl)prop-2-enamide
- Molecular Formula
- C18H19N3O3S
- Molecular Weight
- 357.1147125 g/mol
- Structure
-
- IUPAC Name
- N-(2-morpholino-2-oxo-ethyl)-N-(4-phenylthiazol-2-yl)prop-2-enamide
- InChI
- InChI=1S/C18H19N3O3S/c1-2-16(22)21(12-17(23)20-8-10-24-11-9-20)18-19-15(13-25-18)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2
- InChI Key
- KULFNYNZXKBPJY-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
357.1147125 g/mol
Computed by RDKit
- logP
-
2.276
Computed by ALOGPS
- logS
-
-3.919
Computed by ALOGPS
- Heavy Atom Count
-
25
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
62.74 Å2
Computed by RDKit
3D Structure
targets
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bioactivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.