2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C19H18FN3O2S2 — CID 72717118

IUPAC2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H18FN3O2S2/c20-15-3-5-16(6-4-15)27-12-17(24)23-8-1-2-13(10-23)18-21-22-19(25-18)14-7-9-26-11-14/h3-7,9,11,13H,1-2,8,10,12H2
InChIKeyUVNAGGGCEUAMOC-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 72717118) has the molecular formula C19H18FN3O2S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID72717118
Molecular FormulaC19H18FN3O2S2
Molecular Weight403.50 g/mol
Exact Mass403.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H18FN3O2S2/c20-15-3-5-16(6-4-15)27-12-17(24)23-8-1-2-13(10-23)18-21-22-19(25-18)14-7-9-26-11-14/h3-7,9,11,13H,1-2,8,10,12H2
InChIKeyUVNAGGGCEUAMOC-UHFFFAOYSA-N
XLogP4.44
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 72717118) is 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(CSc1ccc(F)cc1)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UVNAGGGCEUAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S2/c20-15-3-5-16(6-4-15)27-12-17(24)23-8-1-2-13(10-23)18-21-22-19(25-18)14-7-9-26-11-14/h3-7,9,11,13H,1-2,8,10,12H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 403.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).