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

C20H16Cl4N2O2S2 — CID 10673576

IUPAC(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1CCN1C(=O)CS[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl4N2O2S2/c21-13-3-1-11(7-15(13)23)19-25(17(27)9-29-19)5-6-26-18(28)10-30-20(26)12-2-4-14(22)16(24)8-12/h1-4,7-8,19-20H,5-6,9-10H2/t19-,20+
InChIKeyRBNOLOFHJQENIS-BGYRXZFFSA-N
MW522.31 g/mol
LogP6.15
Rot. Bonds5

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

(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 10673576) has the molecular formula C20H16Cl4N2O2S2 and a molecular weight of 522.31 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID10673576
Molecular FormulaC20H16Cl4N2O2S2
Molecular Weight522.31 g/mol
Exact Mass519.94
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1CCN1C(=O)CS[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl4N2O2S2/c21-13-3-1-11(7-15(13)23)19-25(17(27)9-29-19)5-6-26-18(28)10-30-20(26)12-2-4-14(22)16(24)8-12/h1-4,7-8,19-20H,5-6,9-10H2/t19-,20+
InChIKeyRBNOLOFHJQENIS-BGYRXZFFSA-N
XLogP6.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.31
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (CID 10673576) is (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1CCN1C(=O)CS[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is RBNOLOFHJQENIS-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H16Cl4N2O2S2/c21-13-3-1-11(7-15(13)23)19-25(17(27)9-29-19)5-6-26-18(28)10-30-20(26)12-2-4-14(22)16(24)8-12/h1-4,7-8,19-20H,5-6,9-10H2/t19-,20+.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 522.31 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10673576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).