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

C17H13N3O5S — CID 24951976

IUPAC5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccnc([N+](=O)[O-])c4)ccc32)S1
InChIInChI=1S/C17H13N3O5S/c21-16-15(26-17(22)19-16)13-3-1-9-7-10(2-4-12(9)13)25-11-5-6-18-14(8-11)20(23)24/h2,4-8,13,15H,1,3H2,(H,19,21,22)/t13-,15?/m1/s1
InChIKeyIDQCMSDQYNQNFM-AFYYWNPRSA-N
MW371.37 g/mol
LogP3.16
Rot. Bonds4

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

5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 24951976) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID24951976
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccnc([N+](=O)[O-])c4)ccc32)S1
InChIInChI=1S/C17H13N3O5S/c21-16-15(26-17(22)19-16)13-3-1-9-7-10(2-4-12(9)13)25-11-5-6-18-14(8-11)20(23)24/h2,4-8,13,15H,1,3H2,(H,19,21,22)/t13-,15?/m1/s1
InChIKeyIDQCMSDQYNQNFM-AFYYWNPRSA-N
XLogP3.16
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58005292
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)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596653
5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58034264
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
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-(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
5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione
CID 11552203
5-[(1R)-5-[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-methylidene-1,3-thiazolidin-2-one
CID 58565929
4-[[(4R)-4-(2,4-dioxo-1,3-thiazolidin-5-yl)-3,4-dihydro-2H-chromen-7-yl]oxy]naphthalene-1-carbonitrile
CID 11604078

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione (CID 24951976) is 5-[(1R)-5-[(2-nitro-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-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccnc([N+](=O)[O-])c4)ccc32)S1.
What is the InChIKey of 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is IDQCMSDQYNQNFM-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H13N3O5S/c21-16-15(26-17(22)19-16)13-3-1-9-7-10(2-4-12(9)13)25-11-5-6-18-14(8-11)20(23)24/h2,4-8,13,15H,1,3H2,(H,19,21,22)/t13-,15?/m1/s1.
What are the key properties of 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24951976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).