5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride

C12H17ClN4OS — CID 119916365

IUPAC5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCC1CNCCN1Cc1nc(-c2ccsc2)no1.Cl
InChIInChI=1S/C12H16N4OS.ClH/c1-9-6-13-3-4-16(9)7-11-14-12(15-17-11)10-2-5-18-8-10;/h2,5,8-9,13H,3-4,6-7H2,1H3;1H
InChIKeyKGUCGKJMFUPXMX-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.01
Rot. Bonds3

About 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride

5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 119916365) has the molecular formula C12H17ClN4OS and a molecular weight of 300.81 g/mol. Its IUPAC name is 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID119916365
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC Name5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCC1CNCCN1Cc1nc(-c2ccsc2)no1.Cl
InChIInChI=1S/C12H16N4OS.ClH/c1-9-6-13-3-4-16(9)7-11-14-12(15-17-11)10-2-5-18-8-10;/h2,5,8-9,13H,3-4,6-7H2,1H3;1H
InChIKeyKGUCGKJMFUPXMX-UHFFFAOYSA-N
XLogP2.01
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82705500
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072199
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255943

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride (CID 119916365) is 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride is CC1CNCCN1Cc1nc(-c2ccsc2)no1.Cl.
What is the InChIKey of 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is KGUCGKJMFUPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS.ClH/c1-9-6-13-3-4-16(9)7-11-14-12(15-17-11)10-2-5-18-8-10;/h2,5,8-9,13H,3-4,6-7H2,1H3;1H.
What are the key properties of 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119916365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).