2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one

C16H12F3NOS — CID 4245287

IUPAC2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(F)cc1N1C(=O)CSC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H12F3NOS/c1-9-2-4-11(17)7-14(9)20-15(21)8-22-16(20)10-3-5-12(18)13(19)6-10/h2-7,16H,8H2,1H3
InChIKeyNGKWBPSSHHPSHS-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.19
Rot. Bonds2

About 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one

2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4245287) has the molecular formula C16H12F3NOS and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID4245287
Molecular FormulaC16H12F3NOS
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(F)cc1N1C(=O)CSC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H12F3NOS/c1-9-2-4-11(17)7-14(9)20-15(21)8-22-16(20)10-3-5-12(18)13(19)6-10/h2-7,16H,8H2,1H3
InChIKeyNGKWBPSSHHPSHS-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (CID 4245287) is 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(F)cc1N1C(=O)CSC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NGKWBPSSHHPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NOS/c1-9-2-4-11(17)7-14(9)20-15(21)8-22-16(20)10-3-5-12(18)13(19)6-10/h2-7,16H,8H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 323.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4245287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).