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

C15H13FN2OS — CID 42803978

IUPAC2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESNc1cccc(C2SCC(=O)N2c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2OS/c16-11-4-6-13(7-5-11)18-14(19)9-20-15(18)10-2-1-3-12(17)8-10/h1-8,15H,9,17H2
InChIKeyOOFNBXSANSBIFR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.19
Rot. Bonds2

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

2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 42803978) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID42803978
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESNc1cccc(C2SCC(=O)N2c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2OS/c16-11-4-6-13(7-5-11)18-14(19)9-20-15(18)10-2-1-3-12(17)8-10/h1-8,15H,9,17H2
InChIKeyOOFNBXSANSBIFR-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 42803978) is 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is Nc1cccc(C2SCC(=O)N2c2ccc(F)cc2)c1.
What is the InChIKey of 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is OOFNBXSANSBIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-11-4-6-13(7-5-11)18-14(19)9-20-15(18)10-2-1-3-12(17)8-10/h1-8,15H,9,17H2.
What are the key properties of 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 288.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42803978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).