(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C24H17F3N2O2S — CID 93187185

IUPAC(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccccc1F)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12
InChIInChI=1S/C24H17F3N2O2S/c25-18-8-3-1-6-15(18)22(30)29-12-13-32-24(29)17-7-2-4-11-21(17)28(23(24)31)14-16-19(26)9-5-10-20(16)27/h1-11H,12-14H2/t24-/m0/s1
InChIKeyRKGFCHCGXUKEHG-DEOSSOPVSA-N
MW454.47 g/mol
LogP4.69
Rot. Bonds3

About (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93187185) has the molecular formula C24H17F3N2O2S and a molecular weight of 454.47 g/mol. Its IUPAC name is (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93187185
Molecular FormulaC24H17F3N2O2S
Molecular Weight454.47 g/mol
Exact Mass454.10
IUPAC Name(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccccc1F)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12
InChIInChI=1S/C24H17F3N2O2S/c25-18-8-3-1-6-15(18)22(30)29-12-13-32-24(29)17-7-2-4-11-21(17)28(23(24)31)14-16-19(26)9-5-10-20(16)27/h1-11H,12-14H2/t24-/m0/s1
InChIKeyRKGFCHCGXUKEHG-DEOSSOPVSA-N
XLogP4.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
(2S)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185542
(2S)-3-(2-fluorobenzoyl)-5'-methyl-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186339
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93185978
1'-[(2,6-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016666
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187300
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187290
1'-[(3,4-difluorophenyl)methyl]-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017271
(2R)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180917
3-(4-chlorobenzoyl)-1'-[(3,4-difluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017282
3-[[(2R)-3-(2-fluorobenzoyl)-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187560
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187294

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93187185) is (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C(c1ccccc1F)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12.
What is the InChIKey of (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is RKGFCHCGXUKEHG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H17F3N2O2S/c25-18-8-3-1-6-15(18)22(30)29-12-13-32-24(29)17-7-2-4-11-21(17)28(23(24)31)14-16-19(26)9-5-10-20(16)27/h1-11H,12-14H2/t24-/m0/s1.
What are the key properties of (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 454.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93187185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).