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

C20H18Cl2N2O2S2 — CID 1207971

IUPAC(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc(Cl)cc2)N1CCN1C(=O)CS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O2S2/c21-15-5-1-13(2-6-15)19-23(17(25)11-27-19)9-10-24-18(26)12-28-20(24)14-3-7-16(22)8-4-14/h1-8,19-20H,9-12H2/t19-,20+
InChIKeyIOYLFSPNQSLYQQ-BGYRXZFFSA-N
MW453.42 g/mol
LogP4.84
Rot. Bonds5

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

(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 1207971) has the molecular formula C20H18Cl2N2O2S2 and a molecular weight of 453.42 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID1207971
Molecular FormulaC20H18Cl2N2O2S2
Molecular Weight453.42 g/mol
Exact Mass452.02
IUPAC Name(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc(Cl)cc2)N1CCN1C(=O)CS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O2S2/c21-15-5-1-13(2-6-15)19-23(17(25)11-27-19)9-10-24-18(26)12-28-20(24)14-3-7-16(22)8-4-14/h1-8,19-20H,9-12H2/t19-,20+
InChIKeyIOYLFSPNQSLYQQ-BGYRXZFFSA-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

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

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Related Compounds

3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936520
3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (CID 1207971) is (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccc(Cl)cc2)N1CCN1C(=O)CS[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is IOYLFSPNQSLYQQ-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S2/c21-15-5-1-13(2-6-15)19-23(17(25)11-27-19)9-10-24-18(26)12-28-20(24)14-3-7-16(22)8-4-14/h1-8,19-20H,9-12H2/t19-,20+.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-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 (2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1207971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).