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

CovInDB Inhibitor

CI000693

Name

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

Molecular Formula

C₁₈H₁₈N₆OS

Molecular Weight

366.4 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C18H18N6OS/c25-17(20-15-6-8-19-9-7-15)23-10-12-24(13-11-23)18-21-16(22-26-18)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20,25)

InChI Key

AJLZUVGTFWUIDB-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccncc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

366.4 g/mol

Computed by RDKit

logP

2.44

Computed by ALOGPS

logS

-3.7

Computed by ALOGPS

Heavy Atom Count

26

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

3

Computed by RDKit

Topological Polar Surface Area

74.25 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.