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

C20H18Cl2N2O2S2 — CID 3066275

IUPAC(2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2Cl)N1CCN1C(=O)CS[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H18Cl2N2O2S2/c21-15-7-3-1-5-13(15)19-23(17(25)11-27-19)9-10-24-18(26)12-28-20(24)14-6-2-4-8-16(14)22/h1-8,19-20H,9-12H2/t19-,20-/m1/s1
InChIKeyUPJDLOZHHRIQRO-WOJBJXKFSA-N
MW453.42 g/mol
LogP4.84
Rot. Bonds5

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

(2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 3066275) has the molecular formula C20H18Cl2N2O2S2 and a molecular weight of 453.42 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID3066275
Molecular FormulaC20H18Cl2N2O2S2
Molecular Weight453.42 g/mol
Exact Mass452.02
IUPAC Name(2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2Cl)N1CCN1C(=O)CS[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H18Cl2N2O2S2/c21-15-7-3-1-5-13(15)19-23(17(25)11-27-19)9-10-24-18(26)12-28-20(24)14-6-2-4-8-16(14)22/h1-8,19-20H,9-12H2/t19-,20-/m1/s1
InChIKeyUPJDLOZHHRIQRO-WOJBJXKFSA-N
XLogP4.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (CID 3066275) is (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccccc2Cl)N1CCN1C(=O)CS[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is UPJDLOZHHRIQRO-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S2/c21-15-7-3-1-5-13(15)19-23(17(25)11-27-19)9-10-24-18(26)12-28-20(24)14-6-2-4-8-16(14)22/h1-8,19-20H,9-12H2/t19-,20-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
(2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 453.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-3-[2-[(2R)-2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3066275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).