5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione

C17H14N2O3S — CID 24951616

IUPAC5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4)ccc32)S1
InChIInChI=1S/C17H14N2O3S/c20-16-15(23-17(21)19-16)14-3-1-10-9-12(2-4-13(10)14)22-11-5-7-18-8-6-11/h2,4-9,14-15H,1,3H2,(H,19,20,21)/t14-,15?/m1/s1
InChIKeyNXCPONZIJGGWCR-GICMACPYSA-N
MW326.38 g/mol
LogP3.26
Rot. Bonds3

About 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione

5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 24951616) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID24951616
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4)ccc32)S1
InChIInChI=1S/C17H14N2O3S/c20-16-15(23-17(21)19-16)14-3-1-10-9-12(2-4-13(10)14)22-11-5-7-18-8-6-11/h2,4-9,14-15H,1,3H2,(H,19,20,21)/t14-,15?/m1/s1
InChIKeyNXCPONZIJGGWCR-GICMACPYSA-N
XLogP3.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.26
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-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (CID 24951616) is 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4)ccc32)S1.
What is the InChIKey of 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NXCPONZIJGGWCR-GICMACPYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16-15(23-17(21)19-16)14-3-1-10-9-12(2-4-13(10)14)22-11-5-7-18-8-6-11/h2,4-9,14-15H,1,3H2,(H,19,20,21)/t14-,15?/m1/s1.
What are the key properties of 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 326.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24951616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).