5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione

C16H12FNO2S — CID 5158922

IUPAC5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12FNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKeyITKCHXKCMQGZJP-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.64
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 5158922) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID5158922
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12FNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKeyITKCHXKCMQGZJP-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(3-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153547
(5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156151
(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 1301232
2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 3770911
(2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(1H-indol-3-yl)-3-oxopropanenitrile
CID 18592956
N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide
CID 23993202
(2Z)-2-[(5S)-3-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 98158123
(2Z)-2-[(5R)-5-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 41271944
2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42426615
(2Z)-N-benzyl-2-[(5S)-5-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 2240455
(2Z)-N-benzyl-2-cyano-2-[5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 6302500
(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875489

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 5158922) is 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione is O=C1SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is ITKCHXKCMQGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-9,14H,10H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 301.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 5158922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).