ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one

C25H32FN3O2S — CID 143204643

IUPACethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCC.CC.Cc1nn(-c2ccc(F)cc2)cc1C1SCC(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C21H20FN3O2S.2C2H6/c1-14-19(12-25(23-14)17-6-4-16(22)5-7-17)21-24(20(27)13-28-21)11-10-15-2-8-18(26)9-3-15;2*1-2/h2-9,12,21,26H,10-11,13H2,1H3;2*1-2H3
InChIKeyHUXINUHLZWGWDL-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.89
Rot. Bonds5

About ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one

ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 143204643) has the molecular formula C25H32FN3O2S and a molecular weight of 457.62 g/mol. Its IUPAC name is ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Nameethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID143204643
Molecular FormulaC25H32FN3O2S
Molecular Weight457.62 g/mol
Exact Mass457.22
IUPAC Nameethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCC.CC.Cc1nn(-c2ccc(F)cc2)cc1C1SCC(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C21H20FN3O2S.2C2H6/c1-14-19(12-25(23-14)17-6-4-16(22)5-7-17)21-24(20(27)13-28-21)11-10-15-2-8-18(26)9-3-15;2*1-2/h2-9,12,21,26H,10-11,13H2,1H3;2*1-2H3
InChIKeyHUXINUHLZWGWDL-UHFFFAOYSA-N
XLogP5.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 143204643) is ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one is CC.CC.Cc1nn(-c2ccc(F)cc2)cc1C1SCC(=O)N1CCc1ccc(O)cc1.
What is the InChIKey of ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is HUXINUHLZWGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S.2C2H6/c1-14-19(12-25(23-14)17-6-4-16(22)5-7-17)21-24(20(27)13-28-21)11-10-15-2-8-18(26)9-3-15;2*1-2/h2-9,12,21,26H,10-11,13H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one?
ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 457.62 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 143204643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).