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

C25H22ClNO4S — CID 126149236

IUPAC(5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C25H22ClNO4S/c1-16-3-5-17(6-4-16)15-31-21-12-7-18(13-22(21)30-2)14-23-24(28)27(25(29)32-23)20-10-8-19(26)9-11-20/h3-13,23H,14-15H2,1-2H3/t23-/m0/s1
InChIKeyMDWIIVRSLJRWFI-QHCPKHFHSA-N
MW467.97 g/mol
LogP6.05
Rot. Bonds7

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

(5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 126149236) has the molecular formula C25H22ClNO4S and a molecular weight of 467.97 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID126149236
Molecular FormulaC25H22ClNO4S
Molecular Weight467.97 g/mol
Exact Mass467.10
IUPAC Name(5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C25H22ClNO4S/c1-16-3-5-17(6-4-16)15-31-21-12-7-18(13-22(21)30-2)14-23-24(28)27(25(29)32-23)20-10-8-19(26)9-11-20/h3-13,23H,14-15H2,1-2H3/t23-/m0/s1
InChIKeyMDWIIVRSLJRWFI-QHCPKHFHSA-N
XLogP6.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.97
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126149137
(5S)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126146037
(5S)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126147705
(5S)-3-[(4-chlorophenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126168473
5-[(4-chlorophenyl)methyl]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 43844984
(8S)-8-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-11-(4-chlorophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
CID 78581977
(5S)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153943
8-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-11-(4-methylphenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
CID 43849829
(5E)-3-(4-chlorophenyl)-5-[[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126198028
(5R)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126145594
(5S)-3-[(4-chlorophenyl)methyl]-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 126169022
(5R)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126151649

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 126149236) is (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is MDWIIVRSLJRWFI-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22ClNO4S/c1-16-3-5-17(6-4-16)15-31-21-12-7-18(13-22(21)30-2)14-23-24(28)27(25(29)32-23)20-10-8-19(26)9-11-20/h3-13,23H,14-15H2,1-2H3/t23-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
(5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 467.97 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126149236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).