(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C26H22ClFN2O2S — CID 93181752

IUPAC(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCC1(C)CN(C(=O)c2cccc(F)c2)[C@@]2(S1)C(=O)N(Cc1ccccc1Cl)c1ccccc12
InChIInChI=1S/C26H22ClFN2O2S/c1-25(2)16-30(23(31)17-9-7-10-19(28)14-17)26(33-25)20-11-4-6-13-22(20)29(24(26)32)15-18-8-3-5-12-21(18)27/h3-14H,15-16H2,1-2H3/t26-/m0/s1
InChIKeyOMBHVJDJXQLJDL-SANMLTNESA-N
MW480.99 g/mol
LogP5.85
Rot. Bonds3

About (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93181752) has the molecular formula C26H22ClFN2O2S and a molecular weight of 480.99 g/mol. Its IUPAC name is (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93181752
Molecular FormulaC26H22ClFN2O2S
Molecular Weight480.99 g/mol
Exact Mass480.11
IUPAC Name(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCC1(C)CN(C(=O)c2cccc(F)c2)[C@@]2(S1)C(=O)N(Cc1ccccc1Cl)c1ccccc12
InChIInChI=1S/C26H22ClFN2O2S/c1-25(2)16-30(23(31)17-9-7-10-19(28)14-17)26(33-25)20-11-4-6-13-22(20)29(24(26)32)15-18-8-3-5-12-21(18)27/h3-14H,15-16H2,1-2H3/t26-/m0/s1
InChIKeyOMBHVJDJXQLJDL-SANMLTNESA-N
XLogP5.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.99
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015612
(2R)-1'-benzyl-3-(3-fluorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180546
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312
1'-benzyl-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015298
1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016903
1'-benzyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015159
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015290
(2R)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180917
1'-ethyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015169
1'-benzyl-3-(3-chlorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015206
(2S)-1'-benzyl-5'-chloro-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181772
3-(cyclobutanecarbonyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015286

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93181752) is (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CC1(C)CN(C(=O)c2cccc(F)c2)[C@@]2(S1)C(=O)N(Cc1ccccc1Cl)c1ccccc12.
What is the InChIKey of (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is OMBHVJDJXQLJDL-SANMLTNESA-N. The full InChI is InChI=1S/C26H22ClFN2O2S/c1-25(2)16-30(23(31)17-9-7-10-19(28)14-17)26(33-25)20-11-4-6-13-22(20)29(24(26)32)15-18-8-3-5-12-21(18)27/h3-14H,15-16H2,1-2H3/t26-/m0/s1.
What are the key properties of (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 480.99 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93181752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).