1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione

C14H19N3O2S — CID 63242031

IUPAC1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2nccs2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H19N3O2S/c18-13-9-11(15-6-5-12-16-7-8-20-12)14(19)17(13)10-3-1-2-4-10/h7-8,10-11,15H,1-6,9H2
InChIKeyXGDSPVMTSULJDJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.35
Rot. Bonds5

About 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione

1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 63242031) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID63242031
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2nccs2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H19N3O2S/c18-13-9-11(15-6-5-12-16-7-8-20-12)14(19)17(13)10-3-1-2-4-10/h7-8,10-11,15H,1-6,9H2
InChIKeyXGDSPVMTSULJDJ-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.35
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-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione (CID 63242031) is 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCc2nccs2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is XGDSPVMTSULJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13-9-11(15-6-5-12-16-7-8-20-12)14(19)17(13)10-3-1-2-4-10/h7-8,10-11,15H,1-6,9H2.
What are the key properties of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 293.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 63242031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).