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

C16H19FN4O2S — CID 133333041

IUPAC1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCc1nsc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4O2S/c1-2-14-18-16(24-19-14)21-9-7-20(8-10-21)15(22)11-23-13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyVUGXEGVVCIVAKD-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.97
Rot. Bonds5

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

1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 133333041) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID133333041
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCc1nsc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4O2S/c1-2-14-18-16(24-19-14)21-9-7-20(8-10-21)15(22)11-23-13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyVUGXEGVVCIVAKD-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 3617148
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
2-(4-fluorophenoxy)-1-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 133309355
1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 3965075
1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 86797242
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 136528933
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 43982607
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 53202625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 133333041) is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is CCc1nsc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is VUGXEGVVCIVAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-2-14-18-16(24-19-14)21-9-7-20(8-10-21)15(22)11-23-13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 350.42 g/mol, XLogP of 1.97, 5 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-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 133333041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).