1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

C9H14N4OS — CID 133328044

IUPAC1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C9H14N4OS/c1-7-10-9(15-11-7)13-5-3-12(4-6-13)8(2)14/h3-6H2,1-2H3
InChIKeyATYQITCASJRNOX-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.52
Rot. Bonds1

About 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 133328044) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID133328044
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C9H14N4OS/c1-7-10-9(15-11-7)13-5-3-12(4-6-13)8(2)14/h3-6H2,1-2H3
InChIKeyATYQITCASJRNOX-UHFFFAOYSA-N
XLogP0.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894207
2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133332964
(1-aminocyclopropyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 119894997
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565804
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
cycloheptyl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 71926251
2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 146092856
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 150799132
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119894225
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 133328044) is 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is ATYQITCASJRNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-7-10-9(15-11-7)13-5-3-12(4-6-13)8(2)14/h3-6H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 226.30 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133328044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).