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

C21H17N3O3S — CID 58034264

IUPAC5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1nnc(Oc2ccc3c(c2)CC[C@H]3C2SC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C21H17N3O3S/c1-11-14-4-2-3-5-17(14)20(24-23-11)27-13-7-9-15-12(10-13)6-8-16(15)18-19(25)22-21(26)28-18/h2-5,7,9-10,16,18H,6,8H2,1H3,(H,22,25,26)/t16-,18?/m1/s1
InChIKeyOFSROVSHNPCYJX-PYUWXLGESA-N
MW391.45 g/mol
LogP4.11
Rot. Bonds3

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

5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 58034264) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID58034264
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1nnc(Oc2ccc3c(c2)CC[C@H]3C2SC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C21H17N3O3S/c1-11-14-4-2-3-5-17(14)20(24-23-11)27-13-7-9-15-12(10-13)6-8-16(15)18-19(25)22-21(26)28-18/h2-5,7,9-10,16,18H,6,8H2,1H3,(H,22,25,26)/t16-,18?/m1/s1
InChIKeyOFSROVSHNPCYJX-PYUWXLGESA-N
XLogP4.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one
CID 91204237
5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58005292
5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 24951976
5-[(1R)-5-(7-chloroquinolin-4-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 24955535
5-[(1R)-5-[2-chloro-4-[(dimethylamino)methyl]phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596862
5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
CID 58005335
5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione;(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one
CID 143665432
(5S)-5-[(1R)-5-(4-aminoisoquinolin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 70867517
5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596653
4-[[(4R)-4-(2,4-dioxo-1,3-thiazolidin-5-yl)-3,4-dihydro-2H-chromen-7-yl]oxy]naphthalene-1-carbonitrile
CID 11604078
5-[(1R)-6-(2-bromo-4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
CID 58005447
5-[(1R)-5-[(3S)-1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58565958

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (CID 58034264) is 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is Cc1nnc(Oc2ccc3c(c2)CC[C@H]3C2SC(=O)NC2=O)c2ccccc12.
What is the InChIKey of 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OFSROVSHNPCYJX-PYUWXLGESA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-11-14-4-2-3-5-17(14)20(24-23-11)27-13-7-9-15-12(10-13)6-8-16(15)18-19(25)22-21(26)28-18/h2-5,7,9-10,16,18H,6,8H2,1H3,(H,22,25,26)/t16-,18?/m1/s1.
What are the key properties of 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 391.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58034264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).