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

C10H16N4O2S — CID 133328042

IUPAC2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C10H16N4O2S/c1-8-11-10(17-12-8)14-5-3-13(4-6-14)9(15)7-16-2/h3-7H2,1-2H3
InChIKeyVNNGOAYSSLZOQB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.14
Rot. Bonds3

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

2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 133328042) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID133328042
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C10H16N4O2S/c1-8-11-10(17-12-8)14-5-3-13(4-6-14)9(15)7-16-2/h3-7H2,1-2H3
InChIKeyVNNGOAYSSLZOQB-UHFFFAOYSA-N
XLogP0.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 133328042) is 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is VNNGOAYSSLZOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-11-10(17-12-8)14-5-3-13(4-6-14)9(15)7-16-2/h3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 256.33 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133328042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).