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

C11H15N3O2S — CID 54913176

IUPAC1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCc2nc(C)cs2)C1=O
InChIInChI=1S/C11H15N3O2S/c1-3-14-10(15)4-8(11(14)16)12-5-9-13-7(2)6-17-9/h6,8,12H,3-5H2,1-2H3
InChIKeyULTLBGKQUHJZLH-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.69
Rot. Bonds4

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

1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 54913176) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID54913176
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCc2nc(C)cs2)C1=O
InChIInChI=1S/C11H15N3O2S/c1-3-14-10(15)4-8(11(14)16)12-5-9-13-7(2)6-17-9/h6,8,12H,3-5H2,1-2H3
InChIKeyULTLBGKQUHJZLH-UHFFFAOYSA-N
XLogP0.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.69
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-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione (CID 54913176) is 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NCc2nc(C)cs2)C1=O.
What is the InChIKey of 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is ULTLBGKQUHJZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-3-14-10(15)4-8(11(14)16)12-5-9-13-7(2)6-17-9/h6,8,12H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione?
1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 253.33 g/mol, XLogP of 0.69, 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-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 54913176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).