7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C15H19N3O4S — CID 78524222

IUPAC7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCOCC(=O)N1CCN2C(=O)N(CCc3cccs3)C(=O)C2C1
InChIInChI=1S/C15H19N3O4S/c1-22-10-13(19)16-6-7-17-12(9-16)14(20)18(15(17)21)5-4-11-3-2-8-23-11/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyIZLJPFVNLVSFEA-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.41
Rot. Bonds5

About 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 78524222) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID78524222
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCOCC(=O)N1CCN2C(=O)N(CCc3cccs3)C(=O)C2C1
InChIInChI=1S/C15H19N3O4S/c1-22-10-13(19)16-6-7-17-12(9-16)14(20)18(15(17)21)5-4-11-3-2-8-23-11/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyIZLJPFVNLVSFEA-UHFFFAOYSA-N
XLogP0.41
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682094
(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682588
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 146073977
(7R,9aR)-2-(2-hydroxyacetyl)-7-(thiophen-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 11865550
(6S)-1-(2-methoxyacetyl)-4-methyl-6-[(2-thiophen-2-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92608585
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate
CID 7675186
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110310564
7-[(4-hydroxyphenyl)methyl]-2-(2-methoxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 78454343
(3aS,6aR)-2-(2-methoxyacetyl)-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916002

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 78524222) is 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is COCC(=O)N1CCN2C(=O)N(CCc3cccs3)C(=O)C2C1.
What is the InChIKey of 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is IZLJPFVNLVSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-22-10-13(19)16-6-7-17-12(9-16)14(20)18(15(17)21)5-4-11-3-2-8-23-11/h2-3,8,12H,4-7,9-10H2,1H3.
What are the key properties of 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 337.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 78524222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).