1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C27H25FN2O2S — CID 46015290

About 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46015290) has the molecular formula C27H25FN2O2S and a molecular weight of 460.57 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• PubChem CID: 46015290
• Molecular Formula: C27H25FN2O2S
• Molecular Weight: 460.57 g/mol
• Exact Mass: 460.16
• IUPAC Name: 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• SMILES: Cc1ccc(C(=O)N2CC(C)(C)SC23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1
• InChI: InChI=1S/C27H25FN2O2S/c1-18-8-12-20(13-9-18)24(31)30-17-26(2,3)33-27(30)22-6-4-5-7-23(22)29(25(27)32)16-19-10-14-21(28)15-11-19/h4-15H,16-17H2,1-3H3
• InChIKey: PVCAAWYQPSKZQV-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.57
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The IUPAC name of 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46015290) is 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc(C(=O)N2CC(C)(C)SC23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1.

What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The InChIKey is PVCAAWYQPSKZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O2S/c1-18-8-12-20(13-9-18)24(31)30-17-26(2,3)33-27(30)22-6-4-5-7-23(22)29(25(27)32)16-19-10-14-21(28)15-11-19/h4-15H,16-17H2,1-3H3.

What are the key properties of 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 460.57 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46015290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).