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

C13H14N2O2S — CID 4835028

IUPAC7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1Cc1ccccc1
InChIInChI=1S/C13H14N2O2S/c16-12-7-14(6-10-4-2-1-3-5-10)13(17)11-8-18-9-15(11)12/h1-5,11H,6-9H2
InChIKeyNUEYRYTVWQWFAU-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.93
Rot. Bonds2

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

7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 4835028) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID4835028
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1Cc1ccccc1
InChIInChI=1S/C13H14N2O2S/c16-12-7-14(6-10-4-2-1-3-5-10)13(17)11-8-18-9-15(11)12/h1-5,11H,6-9H2
InChIKeyNUEYRYTVWQWFAU-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8aR)-7-(2-chloro-6-fluorobenzyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11908860
(8aR)-7-[3-(trifluoromethyl)benzyl]tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11909677
3-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-thiazolidine-2,4-dione
CID 647372
3H-Thiazolo(3,4-a)pyrazine-5,8-dione, tetrahydro-7-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-
CID 3074211
N-Benzyl-2-(2,4-dioxo-thiazolidin-3-yl)-acetamide
CID 645418
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
Methyl 7-(3-methylbenzyl)-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 3563300
Methyl 7-benzyl-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 4663602
(R)-7-(4-Fluoro-benzyl)-tetrahydro-thiazolo[3,4-a]pyrazine-5,8-dione
CID 7005445
(8aR)-7-(2-fluorobenzyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11909720
Methyl 7-(4-fluorobenzyl)-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 3423896
3-Cyclopropyl-2-phenyl-1,3-thiazolidin-4-one
CID 16044736

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 4835028) is 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1C2CSCN2C(=O)CN1Cc1ccccc1.
What is the InChIKey of 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is NUEYRYTVWQWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-12-7-14(6-10-4-2-1-3-5-10)13(17)11-8-18-9-15(11)12/h1-5,11H,6-9H2.
What are the key properties of 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 262.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 4835028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).