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

C25H21FN2O2S — CID 46015256

IUPAC3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccccc1CN1C(=O)C2(SCCN2C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C25H21FN2O2S/c1-17-8-2-3-9-18(17)16-27-22-13-7-5-11-20(22)25(24(27)30)28(14-15-31-25)23(29)19-10-4-6-12-21(19)26/h2-13H,14-16H2,1H3
InChIKeySDXPAYGXJLXBQZ-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.72
Rot. Bonds3

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

3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46015256) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46015256
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC Name3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccccc1CN1C(=O)C2(SCCN2C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C25H21FN2O2S/c1-17-8-2-3-9-18(17)16-27-22-13-7-5-11-20(22)25(24(27)30)28(14-15-31-25)23(29)19-10-4-6-12-21(19)26/h2-13H,14-16H2,1H3
InChIKeySDXPAYGXJLXBQZ-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

(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187185
(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180172
(2S)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180174
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93185978
(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180742
(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180777
(2S)-3-(2-fluorobenzoyl)-5'-methyl-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186339
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186439
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312
3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016784
(2R)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180917
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46015256) is 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccccc1CN1C(=O)C2(SCCN2C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is SDXPAYGXJLXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-17-8-2-3-9-18(17)16-27-22-13-7-5-11-20(22)25(24(27)30)28(14-15-31-25)23(29)19-10-4-6-12-21(19)26/h2-13H,14-16H2,1H3.
What are the key properties of 3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(2-fluorobenzoyl)-1'-[(2-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-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46015256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).