5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione

C18H16N2O3S — CID 24951617

IUPAC5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnccc1Oc1ccc2c(c1)CC[C@H]2C1SC(=O)NC1=O
InChIInChI=1S/C18H16N2O3S/c1-10-9-19-7-6-15(10)23-12-3-5-13-11(8-12)2-4-14(13)16-17(21)20-18(22)24-16/h3,5-9,14,16H,2,4H2,1H3,(H,20,21,22)/t14-,16?/m1/s1
InChIKeyZPOUASLIFFCEFY-IURRXHLWSA-N
MW340.40 g/mol
LogP3.56
Rot. Bonds3

About 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione

5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 24951617) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID24951617
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnccc1Oc1ccc2c(c1)CC[C@H]2C1SC(=O)NC1=O
InChIInChI=1S/C18H16N2O3S/c1-10-9-19-7-6-15(10)23-12-3-5-13-11(8-12)2-4-14(13)16-17(21)20-18(22)24-16/h3,5-9,14,16H,2,4H2,1H3,(H,20,21,22)/t14-,16?/m1/s1
InChIKeyZPOUASLIFFCEFY-IURRXHLWSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (CID 24951617) is 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is Cc1cnccc1Oc1ccc2c(c1)CC[C@H]2C1SC(=O)NC1=O.
What is the InChIKey of 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZPOUASLIFFCEFY-IURRXHLWSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-10-9-19-7-6-15(10)23-12-3-5-13-11(8-12)2-4-14(13)16-17(21)20-18(22)24-16/h3,5-9,14,16H,2,4H2,1H3,(H,20,21,22)/t14-,16?/m1/s1.
What are the key properties of 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 340.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-[(3-methyl-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24951617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).