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

CovInDB Inhibitor

CI000692

Name

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

Molecular Formula

C₁₇H₁₇N₇OS

Molecular Weight

367.4 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C17H17N7OS/c25-16(21-15-18-7-4-8-19-15)23-9-11-24(12-10-23)17-20-14(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,18,19,21,25)

InChI Key

ZDADUOHWLCGTTC-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ncccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

367.4 g/mol

Computed by RDKit

logP

2.1

Computed by ALOGPS

logS

-3.76

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

7

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

87.14 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.