2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one

C24H20FN3O2S2 — CID 15985715

IUPAC2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccc(F)cc3)nc2-c2ccsc2)N1CCc1ccc(O)cc1
InChIInChI=1S/C24H20FN3O2S2/c25-18-3-5-19(6-4-18)28-13-21(23(26-28)17-10-12-31-14-17)24-27(22(30)15-32-24)11-9-16-1-7-20(29)8-2-16/h1-8,10,12-14,24,29H,9,11,15H2
InChIKeyPGNNSSPHJCZZFI-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.26
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one

2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 15985715) has the molecular formula C24H20FN3O2S2 and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID15985715
Molecular FormulaC24H20FN3O2S2
Molecular Weight465.58 g/mol
Exact Mass465.10
IUPAC Name2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccc(F)cc3)nc2-c2ccsc2)N1CCc1ccc(O)cc1
InChIInChI=1S/C24H20FN3O2S2/c25-18-3-5-19(6-4-18)28-13-21(23(26-28)17-10-12-31-14-17)24-27(22(30)15-32-24)11-9-16-1-7-20(29)8-2-16/h1-8,10,12-14,24,29H,9,11,15H2
InChIKeyPGNNSSPHJCZZFI-UHFFFAOYSA-N
XLogP5.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 143204643
2-[3-ethynyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 143204661
2-[3-(3,4-difluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 11619893
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710533
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710540
(2R)-2-[3-(5-chloro-1H-pyrrol-2-yl)-1-(3,5-dichlorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 136620354
2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
CID 15985894
(2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
CID 136620364
2-(1,3-diphenylpyrazol-4-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 2802850
(2R)-2-[3-(5-chloro-1H-pyrrol-2-yl)-1-(3-methylphenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 136620372
(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
CID 71214596
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 45123641

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 15985715) is 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cn(-c3ccc(F)cc3)nc2-c2ccsc2)N1CCc1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is PGNNSSPHJCZZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S2/c25-18-3-5-19(6-4-18)28-13-21(23(26-28)17-10-12-31-14-17)24-27(22(30)15-32-24)11-9-16-1-7-20(29)8-2-16/h1-8,10,12-14,24,29H,9,11,15H2.
What are the key properties of 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 465.58 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 15985715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).