(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C24H19Cl2NO3S — CID 126156292

IUPAC(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2NO3S/c25-19-7-1-17(2-8-19)14-27-23(28)22(31-24(27)29)13-16-5-11-21(12-6-16)30-15-18-3-9-20(26)10-4-18/h1-12,22H,13-15H2/t22-/m1/s1
InChIKeyYBBBIPLHJORXMX-JOCHJYFZSA-N
MW472.39 g/mol
LogP6.38
Rot. Bonds7

About (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 126156292) has the molecular formula C24H19Cl2NO3S and a molecular weight of 472.39 g/mol. Its IUPAC name is (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID126156292
Molecular FormulaC24H19Cl2NO3S
Molecular Weight472.39 g/mol
Exact Mass471.05
IUPAC Name(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2NO3S/c25-19-7-1-17(2-8-19)14-27-23(28)22(31-24(27)29)13-16-5-11-21(12-6-16)30-15-18-3-9-20(26)10-4-18/h1-12,22H,13-15H2/t22-/m1/s1
InChIKeyYBBBIPLHJORXMX-JOCHJYFZSA-N
XLogP6.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 126156292) is (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is YBBBIPLHJORXMX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19Cl2NO3S/c25-19-7-1-17(2-8-19)14-27-23(28)22(31-24(27)29)13-16-5-11-21(12-6-16)30-15-18-3-9-20(26)10-4-18/h1-12,22H,13-15H2/t22-/m1/s1.
What are the key properties of (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 472.39 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126156292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).