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

C24H19FN2O2S — CID 20922117

IUPAC3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccc(CN2C(=O)C3(SCC(=O)N3c3cccc(F)c3)c3ccccc32)cc1
InChIInChI=1S/C24H19FN2O2S/c1-16-9-11-17(12-10-16)14-26-21-8-3-2-7-20(21)24(23(26)29)27(22(28)15-30-24)19-6-4-5-18(25)13-19/h2-13H,14-15H2,1H3
InChIKeyLSCJEKATUKZKPS-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.61
Rot. Bonds3

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

3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20922117) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20922117
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccc(CN2C(=O)C3(SCC(=O)N3c3cccc(F)c3)c3ccccc32)cc1
InChIInChI=1S/C24H19FN2O2S/c1-16-9-11-17(12-10-16)14-26-21-8-3-2-7-20(21)24(23(26)29)27(22(28)15-30-24)19-6-4-5-18(25)13-19/h2-13H,14-15H2,1H3
InChIKeyLSCJEKATUKZKPS-UHFFFAOYSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922181
3-(3,5-dimethoxyphenyl)-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922167
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 40774665
1'-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17138852
3-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3733061
3-(4-fluorophenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922317
3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922219
2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922252
2-[(2S)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692076
2-[(2R)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692077

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20922117) is 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1ccc(CN2C(=O)C3(SCC(=O)N3c3cccc(F)c3)c3ccccc32)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is LSCJEKATUKZKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-16-9-11-17(12-10-16)14-26-21-8-3-2-7-20(21)24(23(26)29)27(22(28)15-30-24)19-6-4-5-18(25)13-19/h2-13H,14-15H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 418.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20922117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).