N-(5-phenylthiazol-2-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005187
- Name
- N-(5-phenylthiazol-2-yl)prop-2-enamide
- Molecular Formula
- C12H10N2OS
- Molecular Weight
- 230.0513839 g/mol
- Structure
-
- IUPAC Name
- N-(5-phenylthiazol-2-yl)prop-2-enamide
- InChI
- InChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-8-10(16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15)
- InChI Key
- YBIRIJVIMIKKCX-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ncc(-c2ccccc2)s1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
230.0513839 g/mol
Computed by RDKit
- logP
-
3.084
Computed by ALOGPS
- logS
-
-5.108
Computed by ALOGPS
- Heavy Atom Count
-
16
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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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.