2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone

C9H14N4O2S — CID 82511565

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone
SMILESCc1noc(SCC(=O)N2CCNCC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-11-9(15-12-7)16-6-8(14)13-4-2-10-3-5-13/h10H,2-6H2,1H3
InChIKeyUOAUYFBMJSWXOM-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.10
Rot. Bonds3

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone

2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone (PubChem CID 82511565) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone
PubChem CID82511565
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone
SMILESCc1noc(SCC(=O)N2CCNCC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-11-9(15-12-7)16-6-8(14)13-4-2-10-3-5-13/h10H,2-6H2,1H3
InChIKeyUOAUYFBMJSWXOM-UHFFFAOYSA-N
XLogP-0.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 106924584
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-5-one
CID 62046417
1-(1,4-diazepan-1-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 119414034
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 62875775
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 15987644
1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 82511042
2-(3-amino-2-methylphenyl)sulfanyl-1-piperazin-1-ylethanone
CID 79143784
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 43842181
2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
CID 106679402
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119744960
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-1-ylacetamide
CID 61014230
2-methylprop-1-ene;1-piperazin-1-yl-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylsulfanyl)ethanone
CID 164529450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone (CID 82511565) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone is Cc1noc(SCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone?
The InChIKey is UOAUYFBMJSWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-11-9(15-12-7)16-6-8(14)13-4-2-10-3-5-13/h10H,2-6H2,1H3.
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone has a molecular weight of 242.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 82511565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).