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

CovInDB Inhibitor

CI000686

Name

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

Molecular Formula

C₂₀H₂₁N₅O₂S

Molecular Weight

395.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C20H21N5O2S/c1-27-17-9-7-15(8-10-17)18-22-20(28-23-18)25-13-11-24(12-14-25)19(26)21-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26)

InChI Key

QSTJKXSBASUOCF-UHFFFAOYSA-N

Canonical SMILES

COc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

395.5 g/mol

Computed by RDKit

logP

2.92

Computed by ALOGPS

logS

-3.83

Computed by ALOGPS

Heavy Atom Count

28

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

6

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

70.59 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.