3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one

C15H11F2NOS — CID 5129446

IUPAC3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(F)cc1F
InChIInChI=1S/C15H11F2NOS/c16-11-6-7-13(12(17)8-11)18-14(19)9-20-15(18)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyRJCMQNMCNWXAED-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.74
Rot. Bonds2

About 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one

3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 5129446) has the molecular formula C15H11F2NOS and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID5129446
Molecular FormulaC15H11F2NOS
Molecular Weight291.32 g/mol
Exact Mass291.05
IUPAC Name3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(F)cc1F
InChIInChI=1S/C15H11F2NOS/c16-11-6-7-13(12(17)8-11)18-14(19)9-20-15(18)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyRJCMQNMCNWXAED-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one (CID 5129446) is 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is RJCMQNMCNWXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NOS/c16-11-6-7-13(12(17)8-11)18-14(19)9-20-15(18)10-4-2-1-3-5-10/h1-8,15H,9H2.
What are the key properties of 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 291.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5129446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).