1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C20H19FN2O3S — CID 46016823

IUPAC1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOCC(=O)N1CCSC12C(=O)N(Cc1cccc(F)c1)c1ccccc12
InChIInChI=1S/C20H19FN2O3S/c1-26-13-18(24)23-9-10-27-20(23)16-7-2-3-8-17(16)22(19(20)25)12-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyDKMAQTKVEDYASI-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.75
Rot. Bonds4

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

1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016823) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016823
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOCC(=O)N1CCSC12C(=O)N(Cc1cccc(F)c1)c1ccccc12
InChIInChI=1S/C20H19FN2O3S/c1-26-13-18(24)23-9-10-27-20(23)16-7-2-3-8-17(16)22(19(20)25)12-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyDKMAQTKVEDYASI-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-(2-methoxyacetyl)-5'-methyl-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016876
1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016813
(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186126
1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016414
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
(2R)-1'-[(3-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186074
(2R)-N-(3-fluorophenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184644
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-methoxyacetyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187313
(2S)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186997
(2S)-3-(cyclopropanecarbonyl)-1'-[(3-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187011

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016823) is 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COCC(=O)N1CCSC12C(=O)N(Cc1cccc(F)c1)c1ccccc12.
What is the InChIKey of 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is DKMAQTKVEDYASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-26-13-18(24)23-9-10-27-20(23)16-7-2-3-8-17(16)22(19(20)25)12-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 386.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).