3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione

C11H12N4O2S — CID 115331702

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2cn3ccsc3n2)C1=O
InChIInChI=1S/C11H12N4O2S/c1-14-9(16)4-8(10(14)17)12-5-7-6-15-2-3-18-11(15)13-7/h2-3,6,8,12H,4-5H2,1H3
InChIKeyDGIKRTUPTDZMEX-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.24
Rot. Bonds3

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 115331702) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID115331702
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2cn3ccsc3n2)C1=O
InChIInChI=1S/C11H12N4O2S/c1-14-9(16)4-8(10(14)17)12-5-7-6-15-2-3-18-11(15)13-7/h2-3,6,8,12H,4-5H2,1H3
InChIKeyDGIKRTUPTDZMEX-UHFFFAOYSA-N
XLogP0.24
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione (CID 115331702) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCc2cn3ccsc3n2)C1=O.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is DGIKRTUPTDZMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-14-9(16)4-8(10(14)17)12-5-7-6-15-2-3-18-11(15)13-7/h2-3,6,8,12H,4-5H2,1H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 264.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 115331702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).