3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione

C8H12N2O2S — CID 134117763

IUPAC3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCN1C(=O)C2CSC(C)(C)N2C1=O
InChIInChI=1S/C8H12N2O2S/c1-8(2)10-5(4-13-8)6(11)9(3)7(10)12/h5H,4H2,1-3H3
InChIKeyOSGIHRUXLODQAJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.73
Rot. Bonds

About 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione

3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 134117763) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID134117763
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCN1C(=O)C2CSC(C)(C)N2C1=O
InChIInChI=1S/C8H12N2O2S/c1-8(2)10-5(4-13-8)6(11)9(3)7(10)12/h5H,4H2,1-3H3
InChIKeyOSGIHRUXLODQAJ-UHFFFAOYSA-N
XLogP0.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-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 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione (CID 134117763) is 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione is CN1C(=O)C2CSC(C)(C)N2C1=O.
What is the InChIKey of 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is OSGIHRUXLODQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2)10-5(4-13-8)6(11)9(3)7(10)12/h5H,4H2,1-3H3.
What are the key properties of 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione?
3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 200.26 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 134117763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).