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

C17H16FNOS — CID 22332064

IUPAC2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2ccccc2F)cc1
InChIInChI=1S/C17H16FNOS/c1-12-6-8-13(9-7-12)10-19-16(20)11-21-17(19)14-4-2-3-5-15(14)18/h2-9,17H,10-11H2,1H3
InChIKeyPPYRLIITIWERSC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.91
Rot. Bonds3

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

2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 22332064) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID22332064
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2ccccc2F)cc1
InChIInChI=1S/C17H16FNOS/c1-12-6-8-13(9-7-12)10-19-16(20)11-21-17(19)14-4-2-3-5-15(14)18/h2-9,17H,10-11H2,1H3
InChIKeyPPYRLIITIWERSC-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 22332064) is 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(CN2C(=O)CSC2c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is PPYRLIITIWERSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-12-6-8-13(9-7-12)10-19-16(20)11-21-17(19)14-4-2-3-5-15(14)18/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 22332064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).