N-[4-(4-hydroxyphenyl)thiazol-2-yl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005197
- Name
- N-[4-(4-hydroxyphenyl)thiazol-2-yl]prop-2-enamide
- Molecular Formula
- C12H10N2O2S
- Molecular Weight
- 246.0462986 g/mol
- Structure
-
- IUPAC Name
- N-[4-(4-hydroxyphenyl)thiazol-2-yl]prop-2-enamide
- InChI
- InChI=1S/C12H10N2O2S/c1-2-11(16)14-12-13-10(7-17-12)8-3-5-9(15)6-4-8/h2-7,15H,1H2,(H,13,14,16)
- InChI Key
- RYIDVIXGWYMTCF-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1nc(-c2ccc(O)cc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
246.0462986 g/mol
Computed by RDKit
- logP
-
2.669
Computed by ALOGPS
- logS
-
-3.668
Computed by ALOGPS
- Heavy Atom Count
-
17
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
62.22 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.