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

C10H14N2O3S — CID 11149198

IUPAC6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC(C)CC1NC(=O)C2CSC(=O)N2C1=O
InChIInChI=1S/C10H14N2O3S/c1-5(2)3-6-9(14)12-7(8(13)11-6)4-16-10(12)15/h5-7H,3-4H2,1-2H3,(H,11,13)
InChIKeyTZISCLQZHQRHLP-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.59
Rot. Bonds2

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

6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (PubChem CID 11149198) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.

Molecular Properties

Compound Name6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
PubChem CID11149198
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC(C)CC1NC(=O)C2CSC(=O)N2C1=O
InChIInChI=1S/C10H14N2O3S/c1-5(2)3-6-9(14)12-7(8(13)11-6)4-16-10(12)15/h5-7H,3-4H2,1-2H3,(H,11,13)
InChIKeyTZISCLQZHQRHLP-UHFFFAOYSA-N
XLogP0.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione 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 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The IUPAC name of 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (CID 11149198) is 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.
What is the SMILES notation for 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The canonical SMILES for 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is CC(C)CC1NC(=O)C2CSC(=O)N2C1=O.
What is the InChIKey of 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The InChIKey is TZISCLQZHQRHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5(2)3-6-9(14)12-7(8(13)11-6)4-16-10(12)15/h5-7H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione has a molecular weight of 242.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is sourced from PubChem (CID 11149198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).