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

C9H12N2O3S — CID 11264661

IUPAC6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCCC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C9H12N2O3S/c1-3-5-8(13)11-6(4-15-9(11)14)7(12)10(5)2/h5-6H,3-4H2,1-2H3
InChIKeyTYHAUESQUIHQHP-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.30
Rot. Bonds1

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

6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (PubChem CID 11264661) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.

Molecular Properties

Compound Name6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
PubChem CID11264661
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCCC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C9H12N2O3S/c1-3-5-8(13)11-6(4-15-9(11)14)7(12)10(5)2/h5-6H,3-4H2,1-2H3
InChIKeyTYHAUESQUIHQHP-UHFFFAOYSA-N
XLogP0.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The IUPAC name of 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (CID 11264661) is 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.
What is the SMILES notation for 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The canonical SMILES for 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is CCC1C(=O)N2C(=O)SCC2C(=O)N1C.
What is the InChIKey of 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The InChIKey is TYHAUESQUIHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-5-8(13)11-6(4-15-9(11)14)7(12)10(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione has a molecular weight of 228.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is sourced from PubChem (CID 11264661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).