3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C17H19FN4OS — CID 51075331

IUPAC3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCSc1ccccc1F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19FN4OS/c18-14-3-1-2-4-15(14)24-12-5-17(23)22-10-8-21(9-11-22)16-13-19-6-7-20-16/h1-4,6-7,13H,5,8-12H2
InChIKeyFAWMOQWLLCXRNM-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.45
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 51075331) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID51075331
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCSc1ccccc1F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19FN4OS/c18-14-3-1-2-4-15(14)24-12-5-17(23)22-10-8-21(9-11-22)16-13-19-6-7-20-16/h1-4,6-7,13H,5,8-12H2
InChIKeyFAWMOQWLLCXRNM-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 51075331) is 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCSc1ccccc1F)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is FAWMOQWLLCXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-14-3-1-2-4-15(14)24-12-5-17(23)22-10-8-21(9-11-22)16-13-19-6-7-20-16/h1-4,6-7,13H,5,8-12H2.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 346.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 51075331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).