(5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

C24H27FN2OS — CID 18677230

IUPAC(5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)SC(c2cccc(F)c2)N1CCCN1CCCCC1
InChIInChI=1S/C24H27FN2OS/c25-21-12-7-11-20(18-21)24-27(16-8-15-26-13-5-2-6-14-26)23(28)22(29-24)17-19-9-3-1-4-10-19/h1,3-4,7,9-12,17-18,24H,2,5-6,8,13-16H2/b22-17-
InChIKeyGDRQLHRYAJCIPG-XLNRJJMWSA-N
MW410.56 g/mol
LogP5.32
Rot. Bonds6

About (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 18677230) has the molecular formula C24H27FN2OS and a molecular weight of 410.56 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID18677230
Molecular FormulaC24H27FN2OS
Molecular Weight410.56 g/mol
Exact Mass410.18
IUPAC Name(5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)SC(c2cccc(F)c2)N1CCCN1CCCCC1
InChIInChI=1S/C24H27FN2OS/c25-21-12-7-11-20(18-21)24-27(16-8-15-26-13-5-2-6-14-26)23(28)22(29-24)17-19-9-3-1-4-10-19/h1,3-4,7,9-12,17-18,24H,2,5-6,8,13-16H2/b22-17-
InChIKeyGDRQLHRYAJCIPG-XLNRJJMWSA-N
XLogP5.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione
CID 2184377
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 25185442
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
3-((3-(4-Fluorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenylboronic acid
CID 53324519
2-[Bis(4-fluorophenyl)methylsulfanyl]-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 134155532
1-Benzyl-4-[3-(4-fluorophenyl)acryloyl]piperazine
CID 874440

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (CID 18677230) is (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2)SC(c2cccc(F)c2)N1CCCN1CCCCC1.
What is the InChIKey of (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is GDRQLHRYAJCIPG-XLNRJJMWSA-N. The full InChI is InChI=1S/C24H27FN2OS/c25-21-12-7-11-20(18-21)24-27(16-8-15-26-13-5-2-6-14-26)23(28)22(29-24)17-19-9-3-1-4-10-19/h1,3-4,7,9-12,17-18,24H,2,5-6,8,13-16H2/b22-17-.
What are the key properties of (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 410.56 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(3-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18677230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).