2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one

C15H17FN4O2S — CID 126855131

IUPAC2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1F)C(=O)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C15H17FN4O2S/c1-11(22-13-5-3-2-4-12(13)16)15(21)20-8-6-19(7-9-20)14-10-17-23-18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyBZMITOBALOJBBC-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.79
Rot. Bonds4

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

2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 126855131) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID126855131
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1F)C(=O)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C15H17FN4O2S/c1-11(22-13-5-3-2-4-12(13)16)15(21)20-8-6-19(7-9-20)14-10-17-23-18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyBZMITOBALOJBBC-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
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2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
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2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)propan-1-one
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(2S)-2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 51586993
2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 46971472
2-(2-fluorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one (CID 126855131) is 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one is CC(Oc1ccccc1F)C(=O)N1CCN(c2cnsn2)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is BZMITOBALOJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-11(22-13-5-3-2-4-12(13)16)15(21)20-8-6-19(7-9-20)14-10-17-23-18-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 336.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 126855131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).