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

CovInDB Inhibitor

CI000900

Name

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

Molecular Formula

C₁₇H₁₈N₆OS₂

Molecular Weight

386.5 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C17H18N6OS2/c1-12-11-18-15(25-12)20-16(24)22-7-9-23(10-8-22)17-19-14(21-26-17)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,18,20,24)

InChI Key

BZNBQGZECIIUCR-UHFFFAOYSA-N

Canonical SMILES

Cc1cnc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)s1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

386.5 g/mol

Computed by RDKit

logP

2.71

Computed by ALOGPS

logS

-3.41

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

74.25 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.