2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one

C18H18FNOS — CID 4794426

IUPAC2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2)N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H18FNOS/c1-13-17(21)20(12-11-14-5-3-2-4-6-14)18(22-13)15-7-9-16(19)10-8-15/h2-10,13,18H,11-12H2,1H3
InChIKeyQPKGVDAMABIDCW-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 4794426) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID4794426
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2)N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H18FNOS/c1-13-17(21)20(12-11-14-5-3-2-4-6-14)18(22-13)15-7-9-16(19)10-8-15/h2-10,13,18H,11-12H2,1H3
InChIKeyQPKGVDAMABIDCW-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one (CID 4794426) is 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one is CC1SC(c2ccc(F)cc2)N(CCc2ccccc2)C1=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is QPKGVDAMABIDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-13-17(21)20(12-11-14-5-3-2-4-6-14)18(22-13)15-7-9-16(19)10-8-15/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 315.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4794426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).