3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C25H21FN2O2S — CID 46016784

IUPAC3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(SCCN3C(=O)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H21FN2O2S/c1-17-6-8-18(9-7-17)16-27-22-5-3-2-4-21(22)25(24(27)30)28(14-15-31-25)23(29)19-10-12-20(26)13-11-19/h2-13H,14-16H2,1H3
InChIKeySAQKPWQKHUJGQA-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.72
Rot. Bonds3

About 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016784) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016784
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC Name3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(SCCN3C(=O)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H21FN2O2S/c1-17-6-8-18(9-7-17)16-27-22-5-3-2-4-21(22)25(24(27)30)28(14-15-31-25)23(29)19-10-12-20(26)13-11-19/h2-13H,14-16H2,1H3
InChIKeySAQKPWQKHUJGQA-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016820
(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186144
(2R)-1'-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180632
5'-fluoro-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016944
1'-[(3,4-difluorophenyl)methyl]-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017271
(2S)-5'-methyl-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186295
(2R)-3-(4-chlorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180828
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015290
3-(4-chlorobenzoyl)-1'-[(3,4-difluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017282
(2S)-5'-fluoro-3-(4-methylbenzoyl)-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186545
1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839177
(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180622

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016784) is 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc(CN2C(=O)C3(SCCN3C(=O)c3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is SAQKPWQKHUJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-17-6-8-18(9-7-17)16-27-22-5-3-2-4-21(22)25(24(27)30)28(14-15-31-25)23(29)19-10-12-20(26)13-11-19/h2-13H,14-16H2,1H3.
What are the key properties of 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 432.52 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).