5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione

C22H10N4O5S2 — CID 2054890

IUPAC5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3nccs3)C4=O)cc2C(=O)N1c1nccs1
InChIInChI=1S/C22H10N4O5S2/c27-17-13-3-1-11(9-15(13)19(29)25(17)21-23-5-7-32-21)31-12-2-4-14-16(10-12)20(30)26(18(14)28)22-24-6-8-33-22/h1-10H
InChIKeyXUMHQDBRNNPOCB-UHFFFAOYSA-N
MW474.48 g/mol
LogP3.99
Rot. Bonds4

About 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione

5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 2054890) has the molecular formula C22H10N4O5S2 and a molecular weight of 474.48 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID2054890
Molecular FormulaC22H10N4O5S2
Molecular Weight474.48 g/mol
Exact Mass474.01
IUPAC Name5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3nccs3)C4=O)cc2C(=O)N1c1nccs1
InChIInChI=1S/C22H10N4O5S2/c27-17-13-3-1-11(9-15(13)19(29)25(17)21-23-5-7-32-21)31-12-2-4-14-16(10-12)20(30)26(18(14)28)22-24-6-8-33-22/h1-10H
InChIKeyXUMHQDBRNNPOCB-UHFFFAOYSA-N
XLogP3.99
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (CID 2054890) is 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3nccs3)C4=O)cc2C(=O)N1c1nccs1.
What is the InChIKey of 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is XUMHQDBRNNPOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N4O5S2/c27-17-13-3-1-11(9-15(13)19(29)25(17)21-23-5-7-32-21)31-12-2-4-14-16(10-12)20(30)26(18(14)28)22-24-6-8-33-22/h1-10H.
What are the key properties of 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 474.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-5-yl]oxy-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2054890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).