2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one

C18H14F2N2O2S2 — CID 13394761

IUPAC2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2F)N1N1C(=O)CSC1c1ccccc1F
InChIInChI=1S/C18H14F2N2O2S2/c19-13-7-3-1-5-11(13)17-21(15(23)9-25-17)22-16(24)10-26-18(22)12-6-2-4-8-14(12)20/h1-8,17-18H,9-10H2
InChIKeyHUIAGKCOKGLRGL-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.73
Rot. Bonds3

About 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one

2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one (PubChem CID 13394761) has the molecular formula C18H14F2N2O2S2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one
PubChem CID13394761
Molecular FormulaC18H14F2N2O2S2
Molecular Weight392.45 g/mol
Exact Mass392.05
IUPAC Name2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2F)N1N1C(=O)CSC1c1ccccc1F
InChIInChI=1S/C18H14F2N2O2S2/c19-13-7-3-1-5-11(13)17-21(15(23)9-25-17)22-16(24)10-26-18(22)12-6-2-4-8-14(12)20/h1-8,17-18H,9-10H2
InChIKeyHUIAGKCOKGLRGL-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one (CID 13394761) is 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2F)N1N1C(=O)CSC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is HUIAGKCOKGLRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S2/c19-13-7-3-1-5-11(13)17-21(15(23)9-25-17)22-16(24)10-26-18(22)12-6-2-4-8-14(12)20/h1-8,17-18H,9-10H2.
What are the key properties of 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one has a molecular weight of 392.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 13394761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).