N-[4-(4-chlorophenyl)thiazol-2-yl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005181
- Name
- N-[4-(4-chlorophenyl)thiazol-2-yl]prop-2-enamide
- Molecular Formula
- C12H9ClN2OS
- Molecular Weight
- 264.0124116 g/mol
- Structure
-
- IUPAC Name
- N-[4-(4-chlorophenyl)thiazol-2-yl]prop-2-enamide
- InChI
- InChI=1S/C12H9ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h2-7H,1H2,(H,14,15,16)
- InChI Key
- GQZUOYXKFDXAFV-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
- Cocrystal structures
- 6MHB
Calculated Properties
- Molecular Weight
-
264.0124116 g/mol
Computed by RDKit
- logP
-
3.688
Computed by ALOGPS
- logS
-
-5.939
Computed by ALOGPS
- Heavy Atom Count
-
17
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
41.99 Å2
Computed by RDKit
3D Structure
targets
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bioactivity
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ADMET
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.