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

C11H18N4O2S — CID 163345921

IUPAC1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone
SMILESCOCCc1nsc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9(16)14-4-6-15(7-5-14)11-12-10(13-18-11)3-8-17-2/h3-8H2,1-2H3
InChIKeyMWUSGXORGZSJQV-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.40
Rot. Bonds4

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

1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 163345921) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone
PubChem CID163345921
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone
SMILESCOCCc1nsc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9(16)14-4-6-15(7-5-14)11-12-10(13-18-11)3-8-17-2/h3-8H2,1-2H3
InChIKeyMWUSGXORGZSJQV-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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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
Ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate
CID 71807121
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
2-Hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 138027698
3-(2-Methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133369769
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
CID 65275661
2-[Methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
CID 65275662
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
CID 65276307
1-Cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one
CID 71924178

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone (CID 163345921) is 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone is COCCc1nsc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone?
The InChIKey is MWUSGXORGZSJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9(16)14-4-6-15(7-5-14)11-12-10(13-18-11)3-8-17-2/h3-8H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone 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-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 163345921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).