3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C21H18F2N2O2S — CID 46016927

IUPAC3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(C1CC1)N1CCSC12C(=O)N(Cc1ccc(F)cc1)c1ccc(F)cc12
InChIInChI=1S/C21H18F2N2O2S/c22-15-5-1-13(2-6-15)12-24-18-8-7-16(23)11-17(18)21(20(24)27)25(9-10-28-21)19(26)14-3-4-14/h1-2,5-8,11,14H,3-4,9-10,12H2
InChIKeyDVURBCKFCUNCCK-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.65
Rot. Bonds3

About 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016927) has the molecular formula C21H18F2N2O2S and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016927
Molecular FormulaC21H18F2N2O2S
Molecular Weight400.45 g/mol
Exact Mass400.11
IUPAC Name3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(C1CC1)N1CCSC12C(=O)N(Cc1ccc(F)cc1)c1ccc(F)cc12
InChIInChI=1S/C21H18F2N2O2S/c22-15-5-1-13(2-6-15)12-24-18-8-7-16(23)11-17(18)21(20(24)27)25(9-10-28-21)19(26)14-3-4-14/h1-2,5-8,11,14H,3-4,9-10,12H2
InChIKeyDVURBCKFCUNCCK-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(cyclobutanecarbonyl)-5'-fluoro-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186515
1'-benzyl-3-(cyclopentanecarbonyl)-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839193
(2R)-3-(cyclopentanecarbonyl)-5'-fluoro-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186578
(2S)-3-(cyclopropanecarbonyl)-1'-[(3-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187011
5'-chloro-3-(cyclobutanecarbonyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017018
5'-fluoro-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016944
3-(cyclobutanecarbonyl)-1'-[(3,4-difluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017410
(2S)-3-(cyclopentanecarbonyl)-5'-methoxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186818
(2S)-5'-chloro-3-(cyclopropanecarbonyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186786
(2S)-3-(cyclopropanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186240
(2R)-N-(3,4-dimethylphenyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184958
(2R)-3-(cyclopentanecarbonyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186044

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016927) is 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C(C1CC1)N1CCSC12C(=O)N(Cc1ccc(F)cc1)c1ccc(F)cc12.
What is the InChIKey of 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is DVURBCKFCUNCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2S/c22-15-5-1-13(2-6-15)12-24-18-8-7-16(23)11-17(18)21(20(24)27)25(9-10-28-21)19(26)14-3-4-14/h1-2,5-8,11,14H,3-4,9-10,12H2.
What are the key properties of 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 400.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).