N-Phenyl-4-(3-m-tolyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

CovInDB Inhibitor

CI000695

Name

N-Phenyl-4-(3-m-tolyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

Molecular Formula

C₂₀H₂₁N₅OS

Molecular Weight

379.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

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

InChI Key

SXNPCJCDLDAYJJ-UHFFFAOYSA-N

Canonical SMILES

Cc1cccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

379.5 g/mol

Computed by RDKit

logP

3.14

Computed by ALOGPS

logS

-4.15

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.