methyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
Inhibitor information
- CovInDB Inhibitor
- CI005204
- Name
- methyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
- Molecular Formula
- C15H14N2O3S
- Molecular Weight
- 302.0725133 g/mol
- Structure
-
- IUPAC Name
- methyl 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetate
- InChI
- InChI=1S/C15H14N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
- InChI Key
- OQCZFZUPBPEXER-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(CC(=O)OC)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- 6MHC
Calculated Properties
- Molecular Weight
-
302.0725133 g/mol
Computed by RDKit
- logP
-
2.962
Computed by ALOGPS
- logS
-
-4.374
Computed by ALOGPS
- Heavy Atom Count
-
21
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.