2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one

C22H23FN2O2S — CID 130428174

IUPAC2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)N2CCCC2C)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2S/c1-14-12-17(21(27)24-11-3-4-15(24)2)7-10-19(14)25-20(26)13-28-22(25)16-5-8-18(23)9-6-16/h5-10,12,15,22H,3-4,11,13H2,1-2H3
InChIKeyQUSMBPLRMBYORX-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.54
Rot. Bonds3

About 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 130428174) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID130428174
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Name2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)N2CCCC2C)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2S/c1-14-12-17(21(27)24-11-3-4-15(24)2)7-10-19(14)25-20(26)13-28-22(25)16-5-8-18(23)9-6-16/h5-10,12,15,22H,3-4,11,13H2,1-2H3
InChIKeyQUSMBPLRMBYORX-UHFFFAOYSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one (CID 130428174) is 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one is Cc1cc(C(=O)N2CCCC2C)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QUSMBPLRMBYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-14-12-17(21(27)24-11-3-4-15(24)2)7-10-19(14)25-20(26)13-28-22(25)16-5-8-18(23)9-6-16/h5-10,12,15,22H,3-4,11,13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 398.50 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 130428174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).