3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C17H12F2N2O2S — CID 20922099

IUPAC3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C17H12F2N2O2S/c1-20-14-5-3-2-4-11(14)17(16(20)23)21(15(22)9-24-17)10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3
InChIKeyNFONDBFJYKOULA-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.87
Rot. Bonds1

About 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20922099) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20922099
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C17H12F2N2O2S/c1-20-14-5-3-2-4-11(14)17(16(20)23)21(15(22)9-24-17)10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3
InChIKeyNFONDBFJYKOULA-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20922099) is 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is NFONDBFJYKOULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c1-20-14-5-3-2-4-11(14)17(16(20)23)21(15(22)9-24-17)10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 346.36 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20922099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).