N-benzyl-N-(4-phenylthiazol-2-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005202
- Name
- N-benzyl-N-(4-phenylthiazol-2-yl)prop-2-enamide
- Molecular Formula
- C19H16N2OS
- Molecular Weight
- 320.0983341 g/mol
- Structure
-
- IUPAC Name
- N-benzyl-N-(4-phenylthiazol-2-yl)prop-2-enamide
- InChI
- InChI=1S/C19H16N2OS/c1-2-18(22)21(13-15-9-5-3-6-10-15)19-20-17(14-23-19)16-11-7-4-8-12-16/h2-12,14H,1,13H2
- InChI Key
- PGJCDZLJDSGLIH-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
320.0983341 g/mol
Computed by RDKit
- logP
-
4.623
Computed by ALOGPS
- logS
-
-5.69
Computed by ALOGPS
- Heavy Atom Count
-
23
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
33.2 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.