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

C10H18N4OS — CID 120957974

IUPAC3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
SMILESCSC(C)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C10H18N4OS/c1-7(16-3)10-12-9(13-15-10)8-6-11-4-5-14(8)2/h7-8,11H,4-6H2,1-3H3
InChIKeyDNDDRASDVGMTET-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.07
Rot. Bonds3

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

3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole (PubChem CID 120957974) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
PubChem CID120957974
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
SMILESCSC(C)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C10H18N4OS/c1-7(16-3)10-12-9(13-15-10)8-6-11-4-5-14(8)2/h7-8,11H,4-6H2,1-3H3
InChIKeyDNDDRASDVGMTET-UHFFFAOYSA-N
XLogP1.07
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-bromophenyl)sulfanylethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959413
3-(1-methylpiperazin-2-yl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 120958589
3-(1-methylpiperazin-2-yl)-5-[1-(4-nitrophenyl)sulfanylethyl]-1,2,4-oxadiazole
CID 120960309
5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958667
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride
CID 120961598
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
5-(1-but-3-enoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956363
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
N-[cyclopentyl-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 120956540
5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960391

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole (CID 120957974) is 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole is CSC(C)c1nc(C2CNCCN2C)no1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole?
The InChIKey is DNDDRASDVGMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(16-3)10-12-9(13-15-10)8-6-11-4-5-14(8)2/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole has a molecular weight of 242.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).