N-[2-(cyclohexylamino)-2-oxo-ethyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide

CovInDB Inhibitor

CI005207

Name

N-[2-(cyclohexylamino)-2-oxo-ethyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide

Molecular Formula

C₂₀H₂₃N₃O₂S

Molecular Weight

369.151098 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[2-(cyclohexylamino)-2-oxo-ethyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide

InChI

InChI=1S/C20H23N3O2S/c1-2-19(25)23(13-18(24)21-16-11-7-4-8-12-16)20-22-17(14-26-20)15-9-5-3-6-10-15/h2-3,5-6,9-10,14,16H,1,4,7-8,11-13H2,(H,21,24)

InChI Key

WBPYFWVPZZCXQW-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

369.151098 g/mol

Computed by RDKit

logP

4.081

Computed by ALOGPS

logS

-4.525

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

62.3 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.