1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C20H17F3N2O2S — CID 42839230

IUPAC1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCC(=O)N1CCSC12C(=O)N(Cc1ccc(F)cc1F)c1ccc(F)cc12
InChIInChI=1S/C20H17F3N2O2S/c1-2-18(26)25-7-8-28-20(25)15-9-13(21)5-6-17(15)24(19(20)27)11-12-3-4-14(22)10-16(12)23/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyRPGWAMROTKSJCG-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.79
Rot. Bonds3

About 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 42839230) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID42839230
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCC(=O)N1CCSC12C(=O)N(Cc1ccc(F)cc1F)c1ccc(F)cc12
InChIInChI=1S/C20H17F3N2O2S/c1-2-18(26)25-7-8-28-20(25)15-9-13(21)5-6-17(15)24(19(20)27)11-12-3-4-14(22)10-16(12)23/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyRPGWAMROTKSJCG-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714351
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236
(2S)-1'-[(2,4-difluorophenyl)methyl]-N-ethyl-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185679
N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016709
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187358
1'-[(2,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016705
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
(2S)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186603
N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016679
(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186641
5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46151214
3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016927

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 42839230) is 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCC(=O)N1CCSC12C(=O)N(Cc1ccc(F)cc1F)c1ccc(F)cc12.
What is the InChIKey of 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is RPGWAMROTKSJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-2-18(26)25-7-8-28-20(25)15-9-13(21)5-6-17(15)24(19(20)27)11-12-3-4-14(22)10-16(12)23/h3-6,9-10H,2,7-8,11H2,1H3.
What are the key properties of 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 406.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 42839230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).