6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione

C8H10N2O3S — CID 11401624

IUPAC6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C8H10N2O3S/c1-4-6(11)10-5(3-14-8(10)13)7(12)9(4)2/h4-5H,3H2,1-2H3
InChIKeyZPGHLKGUGWPRDP-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.09
Rot. Bonds

About 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione

6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (PubChem CID 11401624) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.

Molecular Properties

Compound Name6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
PubChem CID11401624
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C8H10N2O3S/c1-4-6(11)10-5(3-14-8(10)13)7(12)9(4)2/h4-5H,3H2,1-2H3
InChIKeyZPGHLKGUGWPRDP-UHFFFAOYSA-N
XLogP-0.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione 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 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The IUPAC name of 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (CID 11401624) is 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.
What is the SMILES notation for 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The canonical SMILES for 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is CC1C(=O)N2C(=O)SCC2C(=O)N1C.
What is the InChIKey of 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The InChIKey is ZPGHLKGUGWPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4-6(11)10-5(3-14-8(10)13)7(12)9(4)2/h4-5H,3H2,1-2H3.
What are the key properties of 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione has a molecular weight of 214.25 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is sourced from PubChem (CID 11401624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).