3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one

C15H11FN2O3S — CID 4231304

IUPAC3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2[N+](=O)[O-])N1c1cccc(F)c1
InChIInChI=1S/C15H11FN2O3S/c16-10-4-3-5-11(8-10)17-14(19)9-22-15(17)12-6-1-2-7-13(12)18(20)21/h1-8,15H,9H2
InChIKeyQXKXBABVPWCGJB-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.51
Rot. Bonds3

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

3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 4231304) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID4231304
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2[N+](=O)[O-])N1c1cccc(F)c1
InChIInChI=1S/C15H11FN2O3S/c16-10-4-3-5-11(8-10)17-14(19)9-22-15(17)12-6-1-2-7-13(12)18(20)21/h1-8,15H,9H2
InChIKeyQXKXBABVPWCGJB-UHFFFAOYSA-N
XLogP3.51
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.51
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-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (CID 4231304) is 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is QXKXBABVPWCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c16-10-4-3-5-11(8-10)17-14(19)9-22-15(17)12-6-1-2-7-13(12)18(20)21/h1-8,15H,9H2.
What are the key properties of 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 318.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4231304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).