3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C15H16N6OS — CID 51312105

IUPAC3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1
InChIInChI=1S/C15H16N6OS/c1-2-12(10-16-3-1)14-18-13(22-19-14)11-20-5-7-21(8-6-20)15-17-4-9-23-15/h1-4,9-10H,5-8,11H2
InChIKeyHASSODLJLUKXDR-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.91
Rot. Bonds4

About 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51312105) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51312105
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1
InChIInChI=1S/C15H16N6OS/c1-2-12(10-16-3-1)14-18-13(22-19-14)11-20-5-7-21(8-6-20)15-17-4-9-23-15/h1-4,9-10H,5-8,11H2
InChIKeyHASSODLJLUKXDR-UHFFFAOYSA-N
XLogP1.91
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 78896377
5-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 91838471
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
1-morpholin-4-yl-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 55478105
5-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 78835973
5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 78832778
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 133310455
(6R)-2,2,6-trimethyl-4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586182
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585
5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155917301

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 51312105) is 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1cncc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1.
What is the InChIKey of 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HASSODLJLUKXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-2-12(10-16-3-1)14-18-13(22-19-14)11-20-5-7-21(8-6-20)15-17-4-9-23-15/h1-4,9-10H,5-8,11H2.
What are the key properties of 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 328.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51312105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).