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

CovInDB Inhibitor

CI000897

Name

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

Molecular Formula

C₁₆H₁₇N₇OS

Molecular Weight

355.4 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C16H17N7OS/c24-15(18-13-6-7-17-20-13)22-8-10-23(11-9-22)16-19-14(21-25-16)12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,17,18,20,24)

InChI Key

RZQJFUXCPKGHDT-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccn[nH]1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

355.4 g/mol

Computed by RDKit

logP

1.88

Computed by ALOGPS

logS

-3.71

Computed by ALOGPS

Heavy Atom Count

25

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

6

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

90.04 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.