7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione

C10H14N2O3S — CID 11481903

IUPAC7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC(C)C1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C10H14N2O3S/c1-5(2)7-9(14)12-6(4-16-10(12)15)8(13)11(7)3/h5-7H,4H2,1-3H3
InChIKeyZKUBKBVYGSSGIR-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.55
Rot. Bonds1

About 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione

7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (PubChem CID 11481903) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.

Molecular Properties

Compound Name7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
PubChem CID11481903
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
SMILESCC(C)C1C(=O)N2C(=O)SCC2C(=O)N1C
InChIInChI=1S/C10H14N2O3S/c1-5(2)7-9(14)12-6(4-16-10(12)15)8(13)11(7)3/h5-7H,4H2,1-3H3
InChIKeyZKUBKBVYGSSGIR-UHFFFAOYSA-N
XLogP0.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The IUPAC name of 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione (CID 11481903) is 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione.
What is the SMILES notation for 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The canonical SMILES for 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is CC(C)C1C(=O)N2C(=O)SCC2C(=O)N1C.
What is the InChIKey of 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
The InChIKey is ZKUBKBVYGSSGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5(2)7-9(14)12-6(4-16-10(12)15)8(13)11(7)3/h5-7H,4H2,1-3H3.
What are the key properties of 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione?
7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione has a molecular weight of 242.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-propan-2-yl-6,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione is sourced from PubChem (CID 11481903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).