1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione

C9H11N3O2S — CID 43636074

IUPAC1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2nccs2)C1=O
InChIInChI=1S/C9H11N3O2S/c1-2-12-7(13)5-6(8(12)14)11-9-10-3-4-15-9/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKeyZDINAHGOGCIKHH-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.70
Rot. Bonds3

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

1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 43636074) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
PubChem CID43636074
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2nccs2)C1=O
InChIInChI=1S/C9H11N3O2S/c1-2-12-7(13)5-6(8(12)14)11-9-10-3-4-15-9/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKeyZDINAHGOGCIKHH-UHFFFAOYSA-N
XLogP0.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione (CID 43636074) is 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2nccs2)C1=O.
What is the InChIKey of 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is ZDINAHGOGCIKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-2-12-7(13)5-6(8(12)14)11-9-10-3-4-15-9/h3-4,6H,2,5H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 225.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).