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

CovInDB Inhibitor

CI000889

Name

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

Molecular Formula

C₂₀H₁₈F₃N₅O₂S

Molecular Weight

449.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C20H18F3N5O2S/c21-20(22,23)30-16-9-5-4-8-15(16)24-18(29)27-10-12-28(13-11-27)19-25-17(26-31-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,24,29)

InChI Key

SLTDOTFVZQLNGO-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccccc1OC(F)(F)F)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

449.5 g/mol

Computed by RDKit

logP

4.29

Computed by ALOGPS

logS

-4.94

Computed by ALOGPS

Heavy Atom Count

31

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.