5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C14H21ClN4OS — CID 120958930

IUPAC5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1sc(-c2nc(C3CNCCN3C)no2)cc1C.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-4-11-9(2)7-12(20-11)14-16-13(17-19-14)10-8-15-5-6-18(10)3;/h7,10,15H,4-6,8H2,1-3H3;1H
InChIKeyHWFWPJWZHOSRFM-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.67
Rot. Bonds3

About 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120958930) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120958930
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC Name5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1sc(-c2nc(C3CNCCN3C)no2)cc1C.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-4-11-9(2)7-12(20-11)14-16-13(17-19-14)10-8-15-5-6-18(10)3;/h7,10,15H,4-6,8H2,1-3H3;1H
InChIKeyHWFWPJWZHOSRFM-UHFFFAOYSA-N
XLogP2.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960773
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
3-(1-methylpiperazin-2-yl)-5-(4H-thieno[3,2-c]chromen-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956729
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-(4-methyl-3-methylsulfonylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958697
5-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959722
3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 120957910

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120958930) is 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CCc1sc(-c2nc(C3CNCCN3C)no2)cc1C.Cl.
What is the InChIKey of 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is HWFWPJWZHOSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.ClH/c1-4-11-9(2)7-12(20-11)14-16-13(17-19-14)10-8-15-5-6-18(10)3;/h7,10,15H,4-6,8H2,1-3H3;1H.
What are the key properties of 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120958930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).