methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate

C15H16N2O4S — CID 4663602

IUPACmethyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
SMILESCOC(=O)C1SCC2C(=O)N(Cc3ccccc3)CC(=O)N21
InChIInChI=1S/C15H16N2O4S/c1-21-15(20)14-17-11(9-22-14)13(19)16(8-12(17)18)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3
InChIKeyVCXUJZJMURAMLH-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.47
Rot. Bonds3

About methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate

methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate (PubChem CID 4663602) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
PubChem CID4663602
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
SMILESCOC(=O)C1SCC2C(=O)N(Cc3ccccc3)CC(=O)N21
InChIInChI=1S/C15H16N2O4S/c1-21-15(20)14-17-11(9-22-14)13(19)16(8-12(17)18)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3
InChIKeyVCXUJZJMURAMLH-UHFFFAOYSA-N
XLogP0.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate (CID 4663602) is methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate is COC(=O)C1SCC2C(=O)N(Cc3ccccc3)CC(=O)N21.
What is the InChIKey of methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate?
The InChIKey is VCXUJZJMURAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-21-15(20)14-17-11(9-22-14)13(19)16(8-12(17)18)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3.
What are the key properties of methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate?
methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-benzyl-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate is sourced from PubChem (CID 4663602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).