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

C12H16N4OS2 — CID 120957762

IUPAC3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCSc1ccsc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C12H16N4OS2/c1-16-5-4-13-7-8(16)11-14-12(17-15-11)10-9(18-2)3-6-19-10/h3,6,8,13H,4-5,7H2,1-2H3
InChIKeyACUFVTUMAGLHEA-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.10
Rot. Bonds3

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

3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 120957762) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID120957762
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCSc1ccsc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C12H16N4OS2/c1-16-5-4-13-7-8(16)11-14-12(17-15-11)10-9(18-2)3-6-19-10/h3,6,8,13H,4-5,7H2,1-2H3
InChIKeyACUFVTUMAGLHEA-UHFFFAOYSA-N
XLogP2.10
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961112
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
5-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959722
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole (CID 120957762) is 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole is CSc1ccsc1-c1nc(C2CNCCN2C)no1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is ACUFVTUMAGLHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-16-5-4-13-7-8(16)11-14-12(17-15-11)10-9(18-2)3-6-19-10/h3,6,8,13H,4-5,7H2,1-2H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 296.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).