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

C14H22N2O2S — CID 4907607

IUPAC7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1C1CCCCCCC1
InChIInChI=1S/C14H22N2O2S/c17-13-8-15(11-6-4-2-1-3-5-7-11)14(18)12-9-19-10-16(12)13/h11-12H,1-10H2
InChIKeyVYNQZIFFDGLOMI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.84
Rot. Bonds1

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

7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 4907607) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID4907607
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1C1CCCCCCC1
InChIInChI=1S/C14H22N2O2S/c17-13-8-15(11-6-4-2-1-3-5-7-11)14(18)12-9-19-10-16(12)13/h11-12H,1-10H2
InChIKeyVYNQZIFFDGLOMI-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 4907607) is 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1C2CSCN2C(=O)CN1C1CCCCCCC1.
What is the InChIKey of 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is VYNQZIFFDGLOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-13-8-15(11-6-4-2-1-3-5-7-11)14(18)12-9-19-10-16(12)13/h11-12H,1-10H2.
What are the key properties of 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 282.41 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclooctyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 4907607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).