2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetic acid
Inhibitor information
- CovInDB Inhibitor
- CI005206
- Name
- 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetic acid
- Molecular Formula
- C14H12N2O3S
- Molecular Weight
- 288.0568632 g/mol
- Structure
-
- IUPAC Name
- 2-[(4-phenylthiazol-2-yl)-prop-2-enoyl-amino]acetic acid
- InChI
- InChI=1S/C14H12N2O3S/c1-2-12(17)16(8-13(18)19)14-15-11(9-20-14)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,18,19)
- InChI Key
- UZKULNUBKWARRS-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N(CC(=O)O)c1nc(-c2ccccc2)cs1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
288.0568632 g/mol
Computed by RDKit
- logP
-
2.728
Computed by ALOGPS
- logS
-
-3.672
Computed by ALOGPS
- Heavy Atom Count
-
20
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
-
5
Computed by RDKit
- Topological Polar Surface Area
-
70.5 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.