ethyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
Inhibitor information
- CovInDB Inhibitor
- CI005203
- Name
- ethyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
- Molecular Formula
- C16H16N2O3S
- Molecular Weight
- 316.0881634 g/mol
- Structure
-
- IUPAC Name
- ethyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
- InChI
- InChI=1S/C16H16N2O3S/c1-3-14(19)18(10-15(20)21-4-2)16-17-13(11-22-16)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3
- InChI Key
- DICLNTUULJOZSN-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(CC(=O)OCC)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
316.0881634 g/mol
Computed by RDKit
- logP
-
3.361
Computed by ALOGPS
- logS
-
-4.578
Computed by ALOGPS
- Heavy Atom Count
-
22
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
59.5 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.