8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione

C11H12N4O2S — CID 121224194

IUPAC8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
SMILESCCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12
InChIInChI=1S/C11H12N4O2S/c1-4-6-5-18-10-12-8-7(15(6)10)9(16)14(3)11(17)13(8)2/h5H,4H2,1-3H3
InChIKeyNJZWWBCNNWVQKM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.51
Rot. Bonds1

About 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione

8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione (PubChem CID 121224194) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione.

Molecular Properties

Compound Name8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
PubChem CID121224194
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
SMILESCCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12
InChIInChI=1S/C11H12N4O2S/c1-4-6-5-18-10-12-8-7(15(6)10)9(16)14(3)11(17)13(8)2/h5H,4H2,1-3H3
InChIKeyNJZWWBCNNWVQKM-UHFFFAOYSA-N
XLogP0.51
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3,5-diethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
CID 16856693
7,9-dimethyl-1H-purino[8,7-c][1,2,4]triazine-4,6,8-trione
CID 11107684
1,3,7-trimethyl-8-propanoylpurine-2,6-dione
CID 15928599
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
CID 53019447
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 54323379
6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 4972526
1,3,11-trimethylpurino[8,7-b]quinazoline-2,4,6-trione
CID 10267450
8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 558330
7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione
CID 71440583
8-butanoyl-1,3,7-trimethylpurine-2,6-dione
CID 15928600
1,3-dimethyl-7-propyl-8-thiophen-3-ylpurine-2,6-dione
CID 154715802
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
CID 173012606

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
The IUPAC name of 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione (CID 121224194) is 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione.
What is the SMILES notation for 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
The canonical SMILES for 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione is CCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12.
What is the InChIKey of 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
The InChIKey is NJZWWBCNNWVQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-4-6-5-18-10-12-8-7(15(6)10)9(16)14(3)11(17)13(8)2/h5H,4H2,1-3H3.
What are the key properties of 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione has a molecular weight of 264.31 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione is sourced from PubChem (CID 121224194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).