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

C17H13ClN2O3S — CID 24956976

IUPAC5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4Cl)ccc32)S1
InChIInChI=1S/C17H13ClN2O3S/c18-13-8-19-6-5-14(13)23-10-2-4-11-9(7-10)1-3-12(11)15-16(21)20-17(22)24-15/h2,4-8,12,15H,1,3H2,(H,20,21,22)/t12-,15?/m1/s1
InChIKeyIYGAOCKEOIHYMW-KEKZHRQWSA-N
MW360.82 g/mol
LogP3.91
Rot. Bonds3

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

5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 24956976) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID24956976
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4Cl)ccc32)S1
InChIInChI=1S/C17H13ClN2O3S/c18-13-8-19-6-5-14(13)23-10-2-4-11-9(7-10)1-3-12(11)15-16(21)20-17(22)24-15/h2,4-8,12,15H,1,3H2,(H,20,21,22)/t12-,15?/m1/s1
InChIKeyIYGAOCKEOIHYMW-KEKZHRQWSA-N
XLogP3.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.91
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-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (CID 24956976) is 5-[(1R)-5-[(3-chloro-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-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4Cl)ccc32)S1.
What is the InChIKey of 5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is IYGAOCKEOIHYMW-KEKZHRQWSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-13-8-19-6-5-14(13)23-10-2-4-11-9(7-10)1-3-12(11)15-16(21)20-17(22)24-15/h2,4-8,12,15H,1,3H2,(H,20,21,22)/t12-,15?/m1/s1.
What are the key properties of 5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 360.82 g/mol, XLogP of 3.91, 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-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24956976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).