3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C17H14F3NOS — CID 4245284

IUPAC3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NOS/c1-11-6-8-12(9-7-11)21-15(22)10-23-16(21)13-4-2-3-5-14(13)17(18,19)20/h2-9,16H,10H2,1H3
InChIKeyPNEFMBLEPQHNDF-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.79
Rot. Bonds2

About 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 4245284) has the molecular formula C17H14F3NOS and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID4245284
Molecular FormulaC17H14F3NOS
Molecular Weight337.37 g/mol
Exact Mass337.07
IUPAC Name3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NOS/c1-11-6-8-12(9-7-11)21-15(22)10-23-16(21)13-4-2-3-5-14(13)17(18,19)20/h2-9,16H,10H2,1H3
InChIKeyPNEFMBLEPQHNDF-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 4245284) is 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is PNEFMBLEPQHNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NOS/c1-11-6-8-12(9-7-11)21-15(22)10-23-16(21)13-4-2-3-5-14(13)17(18,19)20/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 337.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4245284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).