1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione

C7H6N2O2S — CID 934529

IUPAC1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1nccs1
InChIInChI=1S/C7H6N2O2S/c10-5-1-2-6(11)9(5)7-8-3-4-12-7/h3-4H,1-2H2
InChIKeyXQXZZGNYEPJXMO-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.80
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione

1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 934529) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione
PubChem CID934529
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1nccs1
InChIInChI=1S/C7H6N2O2S/c10-5-1-2-6(11)9(5)7-8-3-4-12-7/h3-4H,1-2H2
InChIKeyXQXZZGNYEPJXMO-UHFFFAOYSA-N
XLogP0.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione (CID 934529) is 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is XQXZZGNYEPJXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-5-1-2-6(11)9(5)7-8-3-4-12-7/h3-4H,1-2H2.
What are the key properties of 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 182.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 934529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).