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

C10H13N3O2S — CID 61473288

IUPAC3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
SMILESCCc1nc(NC2CC(=O)NC2=O)sc1C
InChIInChI=1S/C10H13N3O2S/c1-3-6-5(2)16-10(11-6)12-7-4-8(14)13-9(7)15/h7H,3-4H2,1-2H3,(H,11,12)(H,13,14,15)
InChIKeyJRMMWYCWDYSVPK-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.84
Rot. Bonds3

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

3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione (PubChem CID 61473288) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
PubChem CID61473288
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
SMILESCCc1nc(NC2CC(=O)NC2=O)sc1C
InChIInChI=1S/C10H13N3O2S/c1-3-6-5(2)16-10(11-6)12-7-4-8(14)13-9(7)15/h7H,3-4H2,1-2H3,(H,11,12)(H,13,14,15)
InChIKeyJRMMWYCWDYSVPK-UHFFFAOYSA-N
XLogP0.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione (CID 61473288) is 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione is CCc1nc(NC2CC(=O)NC2=O)sc1C.
What is the InChIKey of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is JRMMWYCWDYSVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-6-5(2)16-10(11-6)12-7-4-8(14)13-9(7)15/h7H,3-4H2,1-2H3,(H,11,12)(H,13,14,15).
What are the key properties of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 239.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61473288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).