5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one

C24H22N2O5S — CID 67121908

IUPAC5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one
SMILESCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cn1
InChIInChI=1S/C24H22N2O5S/c1-29-24-12-9-17(14-25-24)31-20-4-2-3-18-19(20)10-11-21(18)30-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28/h2-9,12,14,21-22H,10-11,13H2,1H3,(H,26,27)/t21-,22?,32?/m1/s1
InChIKeyIGAPUPFVUGKGIG-XOBGVXBPSA-N
MW450.52 g/mol
LogP4.17
Rot. Bonds6

About 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one

5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one (PubChem CID 67121908) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one
PubChem CID67121908
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one
SMILESCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cn1
InChIInChI=1S/C24H22N2O5S/c1-29-24-12-9-17(14-25-24)31-20-4-2-3-18-19(20)10-11-21(18)30-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28/h2-9,12,14,21-22H,10-11,13H2,1H3,(H,26,27)/t21-,22?,32?/m1/s1
InChIKeyIGAPUPFVUGKGIG-XOBGVXBPSA-N
XLogP4.17
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 159994968
5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 67121953
6-[[3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile
CID 77389499
5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123317451
1,4-diphenoxy-2,3-dihydro-1H-indene
CID 141398687
6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
CID 123322980
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
2-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 70938361
5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 123474642
5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one
CID 67121876
3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide
CID 123777303
5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 123863163

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one?
The IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one (CID 67121908) is 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one?
The canonical SMILES for 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one is COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cn1.
What is the InChIKey of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one?
The InChIKey is IGAPUPFVUGKGIG-XOBGVXBPSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-29-24-12-9-17(14-25-24)31-20-4-2-3-18-19(20)10-11-21(18)30-16-7-5-15(6-8-16)22-13-23(27)26-32(22)28/h2-9,12,14,21-22H,10-11,13H2,1H3,(H,26,27)/t21-,22?,32?/m1/s1.
What are the key properties of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one?
5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one has a molecular weight of 450.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 67121908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).