3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C15H16N6OS — CID 120957910

IUPAC3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2cnc(-c3ccccn3)s2)n1
InChIInChI=1S/C15H16N6OS/c1-21-7-6-16-8-11(21)13-19-14(22-20-13)12-9-18-15(23-12)10-4-2-3-5-17-10/h2-5,9,11,16H,6-8H2,1H3
InChIKeyYUWSTFWODFUXPB-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.83
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 120957910) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID120957910
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2cnc(-c3ccccn3)s2)n1
InChIInChI=1S/C15H16N6OS/c1-21-7-6-16-8-11(21)13-19-14(22-20-13)12-9-18-15(23-12)10-4-2-3-5-17-10/h2-5,9,11,16H,6-8H2,1H3
InChIKeyYUWSTFWODFUXPB-UHFFFAOYSA-N
XLogP1.83
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 120957910) is 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2cnc(-c3ccccn3)s2)n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is YUWSTFWODFUXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-21-7-6-16-8-11(21)13-19-14(22-20-13)12-9-18-15(23-12)10-4-2-3-5-17-10/h2-5,9,11,16H,6-8H2,1H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 328.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).