N-[4-(4-methoxyphenyl)thiazol-2-yl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005178
- Name
- N-[4-(4-methoxyphenyl)thiazol-2-yl]prop-2-enamide
- Molecular Formula
- C13H12N2O2S
- Molecular Weight
- 260.0619486 g/mol
- Structure
-
- IUPAC Name
- N-[4-(4-methoxyphenyl)thiazol-2-yl]prop-2-enamide
- InChI
- InChI=1S/C13H12N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h3-8H,1H2,2H3,(H,14,15,16)
- InChI Key
- PQYTXSGETAGLQO-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
260.0619486 g/mol
Computed by RDKit
- logP
-
3.078
Computed by ALOGPS
- logS
-
-5.371
Computed by ALOGPS
- Heavy Atom Count
-
18
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
51.22 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.