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

C18H18FNOS — CID 3802418

IUPAC2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C2SCC(=O)N2Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FNOS/c1-2-13-7-9-14(10-8-13)18-20(17(21)12-22-18)11-15-5-3-4-6-16(15)19/h3-10,18H,2,11-12H2,1H3
InChIKeyMFUSORXFXCFLIO-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.16
Rot. Bonds4

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

2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3802418) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3802418
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C2SCC(=O)N2Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FNOS/c1-2-13-7-9-14(10-8-13)18-20(17(21)12-22-18)11-15-5-3-4-6-16(15)19/h3-10,18H,2,11-12H2,1H3
InChIKeyMFUSORXFXCFLIO-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3741447
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371
3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one
CID 3721864
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 3840747
methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3399752
3-[(2,6-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3676191
3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3854696
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3396492
methyl 4-[3-[(2,6-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3716378
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3802418) is 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one is CCc1ccc(C2SCC(=O)N2Cc2ccccc2F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is MFUSORXFXCFLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-2-13-7-9-14(10-8-13)18-20(17(21)12-22-18)11-15-5-3-4-6-16(15)19/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 315.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3802418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).