3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one

C17H16FNOS — CID 3387425

IUPAC3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNOS/c1-12-4-2-3-5-15(12)17-19(16(20)11-21-17)10-13-6-8-14(18)9-7-13/h2-9,17H,10-11H2,1H3
InChIKeyRFBOETYGDTVKDE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.91
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one

3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3387425) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID3387425
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNOS/c1-12-4-2-3-5-15(12)17-19(16(20)11-21-17)10-13-6-8-14(18)9-7-13/h2-9,17H,10-11H2,1H3
InChIKeyRFBOETYGDTVKDE-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3834473
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
(2R)-3-benzyl-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964469
3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 42814699
(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964262
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2110827

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 3387425) is 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1SCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is RFBOETYGDTVKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-12-4-2-3-5-15(12)17-19(16(20)11-21-17)10-13-6-8-14(18)9-7-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3387425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).