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

C10H14N4O2S — CID 71807166

IUPAC1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc(C)ns2)CC1
InChIInChI=1S/C10H14N4O2S/c1-7-11-9(17-12-7)10(16)14-5-3-13(4-6-14)8(2)15/h3-6H2,1-2H3
InChIKeyHFJXWMRCLJXVNO-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.15
Rot. Bonds1

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

1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 71807166) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID71807166
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc(C)ns2)CC1
InChIInChI=1S/C10H14N4O2S/c1-7-11-9(17-12-7)10(16)14-5-3-13(4-6-14)8(2)15/h3-6H2,1-2H3
InChIKeyHFJXWMRCLJXVNO-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone (CID 71807166) is 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc(C)ns2)CC1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is HFJXWMRCLJXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-7-11-9(17-12-7)10(16)14-5-3-13(4-6-14)8(2)15/h3-6H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 254.31 g/mol, XLogP of 0.15, 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-thiadiazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71807166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).