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

C17H13F4NO2S — CID 3749516

IUPAC3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OC(F)(F)F)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H13F4NO2S/c18-13-6-4-11(5-7-13)9-22-15(23)10-25-16(22)12-2-1-3-14(8-12)24-17(19,20)21/h1-8,16H,9-10H2
InChIKeyAGNRAIJJSOLHAW-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.50
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3749516) has the molecular formula C17H13F4NO2S and a molecular weight of 371.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3749516
Molecular FormulaC17H13F4NO2S
Molecular Weight371.36 g/mol
Exact Mass371.06
IUPAC Name3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OC(F)(F)F)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H13F4NO2S/c18-13-6-4-11(5-7-13)9-22-15(23)10-25-16(22)12-2-1-3-14(8-12)24-17(19,20)21/h1-8,16H,9-10H2
InChIKeyAGNRAIJJSOLHAW-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 3749516) is 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(OC(F)(F)F)c2)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is AGNRAIJJSOLHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2S/c18-13-6-4-11(5-7-13)9-22-15(23)10-25-16(22)12-2-1-3-14(8-12)24-17(19,20)21/h1-8,16H,9-10H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 371.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3749516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).