7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

C14H16N2O2S — CID 4835892

IUPAC7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1CCc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-8-15(7-6-11-4-2-1-3-5-11)14(18)12-9-19-10-16(12)13/h1-5,12H,6-10H2
InChIKeySPEYDJQGWWQVBV-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.97
Rot. Bonds3

About 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 4835892) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID4835892
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1CCc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-8-15(7-6-11-4-2-1-3-5-11)14(18)12-9-19-10-16(12)13/h1-5,12H,6-10H2
InChIKeySPEYDJQGWWQVBV-UHFFFAOYSA-N
XLogP0.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 4835892) is 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1C2CSCN2C(=O)CN1CCc1ccccc1.
What is the InChIKey of 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is SPEYDJQGWWQVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-8-15(7-6-11-4-2-1-3-5-11)14(18)12-9-19-10-16(12)13/h1-5,12H,6-10H2.
What are the key properties of 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 276.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 4835892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).