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

C17H12Cl2N2O3S — CID 89271487

IUPAC5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4c(Cl)cncc4Cl)ccc32)S1
InChIInChI=1S/C17H12Cl2N2O3S/c18-12-6-20-7-13(19)14(12)24-9-2-4-10-8(5-9)1-3-11(10)15-16(22)21-17(23)25-15/h2,4-7,11,15H,1,3H2,(H,21,22,23)/t11-,15?/m1/s1
InChIKeyBQNREVNOXCLPLZ-ZRKZCGFPSA-N
MW395.27 g/mol
LogP4.56
Rot. Bonds3

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

5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 89271487) has the molecular formula C17H12Cl2N2O3S and a molecular weight of 395.27 g/mol. Its IUPAC name is 5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID89271487
Molecular FormulaC17H12Cl2N2O3S
Molecular Weight395.27 g/mol
Exact Mass393.99
IUPAC Name5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4c(Cl)cncc4Cl)ccc32)S1
InChIInChI=1S/C17H12Cl2N2O3S/c18-12-6-20-7-13(19)14(12)24-9-2-4-10-8(5-9)1-3-11(10)15-16(22)21-17(23)25-15/h2,4-7,11,15H,1,3H2,(H,21,22,23)/t11-,15?/m1/s1
InChIKeyBQNREVNOXCLPLZ-ZRKZCGFPSA-N
XLogP4.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.56
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-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (CID 89271487) is 5-[(1R)-5-[(3,5-dichloro-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-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCc3cc(Oc4c(Cl)cncc4Cl)ccc32)S1.
What is the InChIKey of 5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BQNREVNOXCLPLZ-ZRKZCGFPSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3S/c18-12-6-20-7-13(19)14(12)24-9-2-4-10-8(5-9)1-3-11(10)15-16(22)21-17(23)25-15/h2,4-7,11,15H,1,3H2,(H,21,22,23)/t11-,15?/m1/s1.
What are the key properties of 5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 395.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-[(3,5-dichloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 89271487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).