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

C6H8N2O2S — CID 3074209

IUPAC3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1NCC(=O)N2CSCC12
InChIInChI=1S/C6H8N2O2S/c9-5-1-7-6(10)4-2-11-3-8(4)5/h4H,1-3H2,(H,7,10)
InChIKeyLYWPLTHMYVJTEA-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.98
Rot. Bonds

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

3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 3074209) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID3074209
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1NCC(=O)N2CSCC12
InChIInChI=1S/C6H8N2O2S/c9-5-1-7-6(10)4-2-11-3-8(4)5/h4H,1-3H2,(H,7,10)
InChIKeyLYWPLTHMYVJTEA-UHFFFAOYSA-N
XLogP-0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 3074209) is 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1NCC(=O)N2CSCC12.
What is the InChIKey of 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is LYWPLTHMYVJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-5-1-7-6(10)4-2-11-3-8(4)5/h4H,1-3H2,(H,7,10).
What are the key properties of 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 172.21 g/mol, XLogP of -0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 3074209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).