tert-butyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
Inhibitor information
- CovInDB Inhibitor
- CI005205
- Name
- tert-butyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
- Molecular Formula
- C18H20N2O3S
- Molecular Weight
- 344.1194635 g/mol
- Structure
-
- IUPAC Name
- tert-butyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
- InChI
- InChI=1S/C18H20N2O3S/c1-5-15(21)20(11-16(22)23-18(2,3)4)17-19-14(12-24-17)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3
- InChI Key
- BTZPRUYXUOVOOE-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(CC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
344.1194635 g/mol
Computed by RDKit
- logP
-
4.004
Computed by ALOGPS
- logS
-
-5.112
Computed by ALOGPS
- Heavy Atom Count
-
24
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
-
5
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.