3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride

C15H19ClN6O2S — CID 120959512

IUPAC3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCN1CCNCC1c1noc(CCn2cnc3sccc3c2=O)n1.Cl
InChIInChI=1S/C15H18N6O2S.ClH/c1-20-6-4-16-8-11(20)13-18-12(23-19-13)2-5-21-9-17-14-10(15(21)22)3-7-24-14;/h3,7,9,11,16H,2,4-6,8H2,1H3;1H
InChIKeyGCMRBOAALXIYQG-UHFFFAOYSA-N
MW382.88 g/mol
LogP1.08
Rot. Bonds4

About 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride

3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 120959512) has the molecular formula C15H19ClN6O2S and a molecular weight of 382.88 g/mol. Its IUPAC name is 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID120959512
Molecular FormulaC15H19ClN6O2S
Molecular Weight382.88 g/mol
Exact Mass382.10
IUPAC Name3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCN1CCNCC1c1noc(CCn2cnc3sccc3c2=O)n1.Cl
InChIInChI=1S/C15H18N6O2S.ClH/c1-20-6-4-16-8-11(20)13-18-12(23-19-13)2-5-21-9-17-14-10(15(21)22)3-7-24-14;/h3,7,9,11,16H,2,4-6,8H2,1H3;1H
InChIKeyGCMRBOAALXIYQG-UHFFFAOYSA-N
XLogP1.08
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120958159
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
CID 120956611
3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 39746239
3-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 120959553
3-(1-methylpiperazin-2-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120961594
5-[2-(4-tert-butylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960505
4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120956345
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120960893
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 120741199
3-(1-methylpiperazin-2-yl)-5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 120960405
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride (CID 120959512) is 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride is CN1CCNCC1c1noc(CCn2cnc3sccc3c2=O)n1.Cl.
What is the InChIKey of 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is GCMRBOAALXIYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S.ClH/c1-20-6-4-16-8-11(20)13-18-12(23-19-13)2-5-21-9-17-14-10(15(21)22)3-7-24-14;/h3,7,9,11,16H,2,4-6,8H2,1H3;1H.
What are the key properties of 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 382.88 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 120959512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).