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

CovInDB Inhibitor

CI000685

Name

N-Phenyl-4-(3-p-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

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

InChI

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

InChI Key

JZURMEWAIKSDNM-UHFFFAOYSA-N

Canonical SMILES

Cc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

379.5 g/mol

Computed by RDKit

logP

3.15

Computed by ALOGPS

logS

-4.16

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.