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

C17H14N2O2S — CID 3152134

IUPAC3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1cccc(N2C(=O)CSC23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C17H14N2O2S/c1-11-5-4-6-12(9-11)19-15(20)10-22-17(19)13-7-2-3-8-14(13)18-16(17)21/h2-9H,10H2,1H3,(H,18,21)
InChIKeySFFMUNLAAOJUQE-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.88
Rot. Bonds1

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

3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 3152134) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID3152134
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1cccc(N2C(=O)CSC23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C17H14N2O2S/c1-11-5-4-6-12(9-11)19-15(20)10-22-17(19)13-7-2-3-8-14(13)18-16(17)21/h2-9H,10H2,1H3,(H,18,21)
InChIKeySFFMUNLAAOJUQE-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 3152134) is 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is Cc1cccc(N2C(=O)CSC23C(=O)Nc2ccccc23)c1.
What is the InChIKey of 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is SFFMUNLAAOJUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-5-4-6-12(9-11)19-15(20)10-22-17(19)13-7-2-3-8-14(13)18-16(17)21/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 310.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 3152134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).