1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone

C11H18N4O2S — CID 133333023

IUPAC1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCCc1nsc(N2CCN(C(=O)COC)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-3-9-12-11(18-13-9)15-6-4-14(5-7-15)10(16)8-17-2/h3-8H2,1-2H3
InChIKeyIUQWAZLAEVMDPZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.40
Rot. Bonds4

About 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone

1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 133333023) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID133333023
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCCc1nsc(N2CCN(C(=O)COC)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-3-9-12-11(18-13-9)15-6-4-14(5-7-15)10(16)8-17-2/h3-8H2,1-2H3
InChIKeyIUQWAZLAEVMDPZ-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone (CID 133333023) is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone is CCc1nsc(N2CCN(C(=O)COC)CC2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IUQWAZLAEVMDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-9-12-11(18-13-9)15-6-4-14(5-7-15)10(16)8-17-2/h3-8H2,1-2H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 270.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 133333023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).