N-[2-(oxetan-3-ylamino)-2-oxo-ethyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005209
- Name
- N-[2-(oxetan-3-ylamino)-2-oxo-ethyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide
- Molecular Formula
- C17H17N3O3S
- Molecular Weight
- 343.0990624 g/mol
- Structure
-
- IUPAC Name
- N-[2-(oxetan-3-ylamino)-2-oxo-ethyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide
- InChI
- InChI=1S/C17H17N3O3S/c1-2-16(22)20(8-15(21)18-13-9-23-10-13)17-19-14(11-24-17)12-6-4-3-5-7-12/h2-7,11,13H,1,8-10H2,(H,18,21)
- InChI Key
- CAPZUKVRQPOFQF-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(CC(=O)NC1COC1)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
343.0990624 g/mol
Computed by RDKit
- logP
-
2.097
Computed by ALOGPS
- logS
-
-3.706
Computed by ALOGPS
- Heavy Atom Count
-
24
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
71.53 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.