1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione

C15H15N3O2S — CID 60934094

IUPAC1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(-c3nccs3)cc2)C1=O
InChIInChI=1S/C15H15N3O2S/c1-2-18-13(19)9-12(15(18)20)17-11-5-3-10(4-6-11)14-16-7-8-21-14/h3-8,12,17H,2,9H2,1H3
InChIKeyXUDRTDIZSAHJAU-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.37
Rot. Bonds4

About 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione

1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione (PubChem CID 60934094) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione
PubChem CID60934094
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(-c3nccs3)cc2)C1=O
InChIInChI=1S/C15H15N3O2S/c1-2-18-13(19)9-12(15(18)20)17-11-5-3-10(4-6-11)14-16-7-8-21-14/h3-8,12,17H,2,9H2,1H3
InChIKeyXUDRTDIZSAHJAU-UHFFFAOYSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.37
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-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione (CID 60934094) is 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2ccc(-c3nccs3)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione?
The InChIKey is XUDRTDIZSAHJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-18-13(19)9-12(15(18)20)17-11-5-3-10(4-6-11)14-16-7-8-21-14/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione?
1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione has a molecular weight of 301.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 60934094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).