(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one

C13H12FN3OS2 — CID 96550433

IUPAC(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one
SMILESO=C1[C@@H](Sc2nncs2)CCCN1c1cccc(F)c1
InChIInChI=1S/C13H12FN3OS2/c14-9-3-1-4-10(7-9)17-6-2-5-11(12(17)18)20-13-16-15-8-19-13/h1,3-4,7-8,11H,2,5-6H2/t11-/m0/s1
InChIKeyGBQIQWDMHLYORP-NSHDSACASA-N
MW309.39 g/mol
LogP2.96
Rot. Bonds3

About (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one

(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one (PubChem CID 96550433) has the molecular formula C13H12FN3OS2 and a molecular weight of 309.39 g/mol. Its IUPAC name is (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one
PubChem CID96550433
Molecular FormulaC13H12FN3OS2
Molecular Weight309.39 g/mol
Exact Mass309.04
IUPAC Name(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one
SMILESO=C1[C@@H](Sc2nncs2)CCCN1c1cccc(F)c1
InChIInChI=1S/C13H12FN3OS2/c14-9-3-1-4-10(7-9)17-6-2-5-11(12(17)18)20-13-16-15-8-19-13/h1,3-4,7-8,11H,2,5-6H2/t11-/m0/s1
InChIKeyGBQIQWDMHLYORP-NSHDSACASA-N
XLogP2.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one 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 (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one?
The IUPAC name of (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one (CID 96550433) is (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one.
What is the SMILES notation for (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one?
The canonical SMILES for (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one is O=C1[C@@H](Sc2nncs2)CCCN1c1cccc(F)c1.
What is the InChIKey of (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one?
The InChIKey is GBQIQWDMHLYORP-NSHDSACASA-N. The full InChI is InChI=1S/C13H12FN3OS2/c14-9-3-1-4-10(7-9)17-6-2-5-11(12(17)18)20-13-16-15-8-19-13/h1,3-4,7-8,11H,2,5-6H2/t11-/m0/s1.
What are the key properties of (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one?
(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one has a molecular weight of 309.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one is sourced from PubChem (CID 96550433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).