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

C11H16N2O3S — CID 11414194

IUPAC7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC(C)CC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C11H16N2O3S/c1-6(2)4-7-10(15)13-8(5-17-11(13)16)9(14)12(7)3/h6-8H,4-5H2,1-3H3
InChIKeyPEXUIMNDBAVMFP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.94
Rot. Bonds2

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

7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (PubChem CID 11414194) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.

Molecular Properties

Compound Name7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
PubChem CID11414194
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC(C)CC1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C11H16N2O3S/c1-6(2)4-7-10(15)13-8(5-17-11(13)16)9(14)12(7)3/h6-8H,4-5H2,1-3H3
InChIKeyPEXUIMNDBAVMFP-UHFFFAOYSA-N
XLogP0.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106433116
S-[(3S,5S,9S)-9-methyl-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl] ethanethioate
CID 10684306
6-(2-Methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11149198
6-Propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11241654
3H-Thiazolo[3,4-A]pyrazine-3,5,8-trione, 6-ethyltetrahydro-7-methyl-
CID 11264661
6-butan-2-yl-7-methyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11265333
7-methyl-6-propyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11345517
6-Propyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11390542
6,7-dimethyl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11401624
6-Butan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11436446
7-methyl-6-(2-methylsulfanylethyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11471334
7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11481903

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The IUPAC name of 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (CID 11414194) is 7-methyl-6-(2-methylpropyl)-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-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The canonical SMILES for 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is CC(C)CC1C(=O)N2C(=O)SCC2C(=O)N1C.
What is the InChIKey of 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The InChIKey is PEXUIMNDBAVMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-6(2)4-7-10(15)13-8(5-17-11(13)16)9(14)12(7)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione has a molecular weight of 256.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(2-methylpropyl)-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is sourced from PubChem (CID 11414194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).