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

C20H18F2N2O2S2 — CID 3066277

IUPAC(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cccc(F)c2)N1CCN1C(=O)CS[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H18F2N2O2S2/c21-15-5-1-3-13(9-15)19-23(17(25)11-27-19)7-8-24-18(26)12-28-20(24)14-4-2-6-16(22)10-14/h1-6,9-10,19-20H,7-8,11-12H2/t19-,20-/m1/s1
InChIKeyPSTGWBZCEHGXTA-WOJBJXKFSA-N
MW420.51 g/mol
LogP3.81
Rot. Bonds5

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

(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 3066277) has the molecular formula C20H18F2N2O2S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID3066277
Molecular FormulaC20H18F2N2O2S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cccc(F)c2)N1CCN1C(=O)CS[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H18F2N2O2S2/c21-15-5-1-3-13(9-15)19-23(17(25)11-27-19)7-8-24-18(26)12-28-20(24)14-4-2-6-16(22)10-14/h1-6,9-10,19-20H,7-8,11-12H2/t19-,20-/m1/s1
InChIKeyPSTGWBZCEHGXTA-WOJBJXKFSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (CID 3066277) is (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CS[C@H](c2cccc(F)c2)N1CCN1C(=O)CS[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is PSTGWBZCEHGXTA-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H18F2N2O2S2/c21-15-5-1-3-13(9-15)19-23(17(25)11-27-19)7-8-24-18(26)12-28-20(24)14-4-2-6-16(22)10-14/h1-6,9-10,19-20H,7-8,11-12H2/t19-,20-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 420.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3066277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).