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

C15H10F2INOS — CID 4133056

IUPAC2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2)N1c1ccc(I)cc1
InChIInChI=1S/C15H10F2INOS/c16-12-6-1-9(7-13(12)17)15-19(14(20)8-21-15)11-4-2-10(18)3-5-11/h1-7,15H,8H2
InChIKeyYLMOPGDTQRJFSN-UHFFFAOYSA-N
MW417.22 g/mol
LogP4.35
Rot. Bonds2

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

2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one (PubChem CID 4133056) has the molecular formula C15H10F2INOS and a molecular weight of 417.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
PubChem CID4133056
Molecular FormulaC15H10F2INOS
Molecular Weight417.22 g/mol
Exact Mass416.95
IUPAC Name2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2)N1c1ccc(I)cc1
InChIInChI=1S/C15H10F2INOS/c16-12-6-1-9(7-13(12)17)15-19(14(20)8-21-15)11-4-2-10(18)3-5-11/h1-7,15H,8H2
InChIKeyYLMOPGDTQRJFSN-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one (CID 4133056) is 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(F)c2)N1c1ccc(I)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
The InChIKey is YLMOPGDTQRJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2INOS/c16-12-6-1-9(7-13(12)17)15-19(14(20)8-21-15)11-4-2-10(18)3-5-11/h1-7,15H,8H2.
What are the key properties of 2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one has a molecular weight of 417.22 g/mol, XLogP of 4.35, 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-(4-iodophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4133056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).