1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C25H21ClN2O2S — CID 20922138

About 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20922138) has the molecular formula C25H21ClN2O2S and a molecular weight of 448.98 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

• Compound Name: 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• PubChem CID: 20922138
• Molecular Formula: C25H21ClN2O2S
• Molecular Weight: 448.98 g/mol
• Exact Mass: 448.10
• IUPAC Name: 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• SMILES: Cc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1C
• InChI: InChI=1S/C25H21ClN2O2S/c1-16-7-12-20(13-17(16)2)28-23(29)15-31-25(28)21-5-3-4-6-22(21)27(24(25)30)14-18-8-10-19(26)11-9-18/h3-13H,14-15H2,1-2H3
• InChIKey: OZLDAJDGPXNNLL-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.98
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The IUPAC name of 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20922138) is 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

What is the SMILES notation for 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The canonical SMILES for 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1C.

What is the InChIKey of 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The InChIKey is OZLDAJDGPXNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2S/c1-16-7-12-20(13-17(16)2)28-23(29)15-31-25(28)21-5-3-4-6-22(21)27(24(25)30)14-18-8-10-19(26)11-9-18/h3-13H,14-15H2,1-2H3.

What are the key properties of 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 448.98 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20922138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).