1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-

CovInDB Inhibitor

CI000166

Name

1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-

Molecular Formula

C₁₉H₁₉N₅OS

Molecular Weight

365.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)

InChI Key

BHBOSTKQCZEAJM-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

365.5 g/mol

Computed by RDKit

logP

2.84

Computed by ALOGPS

logS

-3.69

Computed by ALOGPS

Heavy Atom Count

26

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.