4-(3-(4-Chlorophenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide

CovInDB Inhibitor

CI000687

Name

4-(3-(4-Chlorophenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide

Molecular Formula

C₁₉H₁₈ClN₅OS

Molecular Weight

399.9 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenyl-piperazine-1-carboxamide

InChI

InChI=1S/C19H18ClN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26)

InChI Key

ARAUGGCZUKMXPG-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

399.9 g/mol

Computed by RDKit

logP

3.78

Computed by ALOGPS

logS

-4.3

Computed by ALOGPS

Heavy Atom Count

27

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

61.36 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.