3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C13H19N3O2S — CID 106044300

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1nc(CCNC2CC(=O)N(C(C)C)C2=O)cs1
InChIInChI=1S/C13H19N3O2S/c1-8(2)16-12(17)6-11(13(16)18)14-5-4-10-7-19-9(3)15-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyOQPRABDKKJQJTF-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.12
Rot. Bonds5

About 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 106044300) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID106044300
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1nc(CCNC2CC(=O)N(C(C)C)C2=O)cs1
InChIInChI=1S/C13H19N3O2S/c1-8(2)16-12(17)6-11(13(16)18)14-5-4-10-7-19-9(3)15-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyOQPRABDKKJQJTF-UHFFFAOYSA-N
XLogP1.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.12
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 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 106044300) is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is Cc1nc(CCNC2CC(=O)N(C(C)C)C2=O)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is OQPRABDKKJQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(2)16-12(17)6-11(13(16)18)14-5-4-10-7-19-9(3)15-10/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106044300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).