4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile

C26H17N3O4S — CID 123629188

IUPAC4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(C#N)c1
InChIInChI=1S/C26H17N3O4S/c27-14-16-4-10-22(18(12-16)15-28)33-23-3-1-2-20-21(23)9-11-24(20)32-19-7-5-17(6-8-19)25-13-26(30)29-34(25)31/h1-8,10,12-13,24H,9,11H2,(H,29,30)/t24-,34?/m1/s1
InChIKeyIXOIIBZZHGPTNF-CPPKSAKYSA-N
MW467.51 g/mol
LogP4.42
Rot. Bonds5

About 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile

4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile (PubChem CID 123629188) has the molecular formula C26H17N3O4S and a molecular weight of 467.51 g/mol. Its IUPAC name is 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile
PubChem CID123629188
Molecular FormulaC26H17N3O4S
Molecular Weight467.51 g/mol
Exact Mass467.09
IUPAC Name4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(C#N)c1
InChIInChI=1S/C26H17N3O4S/c27-14-16-4-10-22(18(12-16)15-28)33-23-3-1-2-20-21(23)9-11-24(20)32-19-7-5-17(6-8-19)25-13-26(30)29-34(25)31/h1-8,10,12-13,24H,9,11H2,(H,29,30)/t24-,34?/m1/s1
InChIKeyIXOIIBZZHGPTNF-CPPKSAKYSA-N
XLogP4.42
TPSA112.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

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-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 123426083
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-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67972816
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
5-[4-[[(1R)-4-[3-(2-hydroxyethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123720904
5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123885762
5-[4-[[(1R)-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123850309
5-[4-[[(1R)-4-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123212124
5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123424147
5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123752112
5-[4-[[(1R)-4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123743883

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile (CID 123629188) is 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile is N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(C#N)c1.
What is the InChIKey of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile?
The InChIKey is IXOIIBZZHGPTNF-CPPKSAKYSA-N. The full InChI is InChI=1S/C26H17N3O4S/c27-14-16-4-10-22(18(12-16)15-28)33-23-3-1-2-20-21(23)9-11-24(20)32-19-7-5-17(6-8-19)25-13-26(30)29-34(25)31/h1-8,10,12-13,24H,9,11H2,(H,29,30)/t24-,34?/m1/s1.
What are the key properties of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile?
4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile has a molecular weight of 467.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 123629188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).