3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one

C15H10F2N2O3S — CID 4055122

IUPAC3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3S/c16-11-5-2-6-12(17)14(11)18-13(20)8-23-15(18)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2
InChIKeyXHVFFPQZNQSUPP-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.65
Rot. Bonds3

About 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one

3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 4055122) has the molecular formula C15H10F2N2O3S and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID4055122
Molecular FormulaC15H10F2N2O3S
Molecular Weight336.32 g/mol
Exact Mass336.04
IUPAC Name3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3S/c16-11-5-2-6-12(17)14(11)18-13(20)8-23-15(18)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2
InChIKeyXHVFFPQZNQSUPP-UHFFFAOYSA-N
XLogP3.65
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (CID 4055122) is 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is XHVFFPQZNQSUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S/c16-11-5-2-6-12(17)14(11)18-13(20)8-23-15(18)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2.
What are the key properties of 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 336.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4055122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).