7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione

C10H14N2O3S2 — CID 11471334

IUPAC7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCSCCC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C10H14N2O3S2/c1-11-6(3-4-16-2)9(14)12-7(8(11)13)5-17-10(12)15/h6-7H,3-5H2,1-2H3
InChIKeyAKXWPIDPSZEWCG-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.64
Rot. Bonds3

About 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione

7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (PubChem CID 11471334) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.

Molecular Properties

Compound Name7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
PubChem CID11471334
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCSCCC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C10H14N2O3S2/c1-11-6(3-4-16-2)9(14)12-7(8(11)13)5-17-10(12)15/h6-7H,3-5H2,1-2H3
InChIKeyAKXWPIDPSZEWCG-UHFFFAOYSA-N
XLogP0.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1H,3H-thiazolo[4,3-c][1,4]thiazine-5,8-dione
CID 13599166
5,11-Dithia-1,7-diazatricyclo[7.3.0.0,3,7]dodecane-2,8-dione
CID 337519
(5aR,10aR)-Tetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10(3H,8H)-dione
CID 12575662
1,1,3,3,6-pentamethyl-8aH-[1,3]thiazolo[4,3-c][1,4]thiazine-5,8-dione
CID 13599168
7-Isopropyltetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 355355
3,3,8,8-tetramethyltetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10(3H,8H)-dione
CID 2853992
(3R,9S)-5-thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 23427100
(3S,9S)-5-thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 44576120
(3S,9R)-6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 760093
(3R,9R)-6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 760098
5-Thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 74052149
2-Ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one
CID 13101708

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The IUPAC name of 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (CID 11471334) is 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.
What is the SMILES notation for 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The canonical SMILES for 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is CSCCC1C(=O)N2C(=O)SCC2C(=O)N1C.
What is the InChIKey of 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The InChIKey is AKXWPIDPSZEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-11-6(3-4-16-2)9(14)12-7(8(11)13)5-17-10(12)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione has a molecular weight of 274.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is sourced from PubChem (CID 11471334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).