4-(3-Phenyl-1,2,4-thiadiazol-5-yl)-N-o-tolylpiperazine-1-carboxamide

CovInDB Inhibitor

CI000682

Name

4-(3-Phenyl-1,2,4-thiadiazol-5-yl)-N-o-tolylpiperazine-1-carboxamide

Molecular Formula

C₂₀H₂₁N₅OS

Molecular Weight

379.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-(o-tolyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

InChI

InChI=1S/C20H21N5OS/c1-15-7-5-6-10-17(15)21-19(26)24-11-13-25(14-12-24)20-22-18(23-27-20)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,21,26)

InChI Key

HHXCSVTZZCFGPX-UHFFFAOYSA-N

Canonical SMILES

Cc1ccccc1NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

379.5 g/mol

Computed by RDKit

logP

3.11

Computed by ALOGPS

logS

-4.14

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.