(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C18H16N2O2S — CID 7099773

IUPAC(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1C
InChIInChI=1S/C18H16N2O2S/c1-11-7-8-13(9-12(11)2)20-16(21)10-23-18(20)14-5-3-4-6-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeyUPEAWSLWYOETRW-GOSISDBHSA-N
MW324.41 g/mol
LogP3.19
Rot. Bonds1

About (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 7099773) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID7099773
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1C
InChIInChI=1S/C18H16N2O2S/c1-11-7-8-13(9-12(11)2)20-16(21)10-23-18(20)14-5-3-4-6-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeyUPEAWSLWYOETRW-GOSISDBHSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7066927
3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 3152134
(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1097329
(2S)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702157
(2R)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702156
3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2976227
(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 7245471
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7830115
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1075542
3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
CID 3858011
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 7099773) is (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1C.
What is the InChIKey of (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is UPEAWSLWYOETRW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-7-8-13(9-12(11)2)20-16(21)10-23-18(20)14-5-3-4-6-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m1/s1.
What are the key properties of (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 324.41 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 7099773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).