6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile

C24H17N3O4S — CID 123322980

IUPAC6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1
InChIInChI=1S/C24H17N3O4S/c25-13-15-4-11-24(26-14-15)31-20-3-1-2-18-19(20)9-10-21(18)30-17-7-5-16(6-8-17)22-12-23(28)27-32(22)29/h1-8,11-12,14,21H,9-10H2,(H,27,28)/t21-,32?/m1/s1
InChIKeyIDGMTBOBZGEIAM-LFDVRYLKSA-N
MW443.48 g/mol
LogP3.95
Rot. Bonds5

About 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile

6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile (PubChem CID 123322980) has the molecular formula C24H17N3O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
PubChem CID123322980
Molecular FormulaC24H17N3O4S
Molecular Weight443.48 g/mol
Exact Mass443.09
IUPAC Name6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1
InChIInChI=1S/C24H17N3O4S/c25-13-15-4-11-24(26-14-15)31-20-3-1-2-18-19(20)9-10-21(18)30-17-7-5-16(6-8-17)22-12-23(28)27-32(22)29/h1-8,11-12,14,21H,9-10H2,(H,27,28)/t21-,32?/m1/s1
InChIKeyIDGMTBOBZGEIAM-LFDVRYLKSA-N
XLogP3.95
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

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
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
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
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-[4-(2-ethoxyethoxy)-2,6-dimethylphenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123885762
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
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-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67986926
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-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67986907
5-[4-[[(1R)-4-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67986914

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile is N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)nc1.
What is the InChIKey of 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The InChIKey is IDGMTBOBZGEIAM-LFDVRYLKSA-N. The full InChI is InChI=1S/C24H17N3O4S/c25-13-15-4-11-24(26-14-15)31-20-3-1-2-18-19(20)9-10-21(18)30-17-7-5-16(6-8-17)22-12-23(28)27-32(22)29/h1-8,11-12,14,21H,9-10H2,(H,27,28)/t21-,32?/m1/s1.
What are the key properties of 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile has a molecular weight of 443.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 123322980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).