2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine

C8H11N5O3S — CID 135860628

IUPAC2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2nc(C3CCOC3)[nH]c21
InChIInChI=1S/C8H11N5O3S/c9-6-5-8(13-17(14,15)12-6)11-7(10-5)4-1-2-16-3-4/h4,13H,1-3H2,(H2,9,12)(H,10,11)
InChIKeyHBCNWNAOFHLTBT-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.71
Rot. Bonds1

About 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine

2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 135860628) has the molecular formula C8H11N5O3S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID135860628
Molecular FormulaC8H11N5O3S
Molecular Weight257.27 g/mol
Exact Mass257.06
IUPAC Name2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2nc(C3CCOC3)[nH]c21
InChIInChI=1S/C8H11N5O3S/c9-6-5-8(13-17(14,15)12-6)11-7(10-5)4-1-2-16-3-4/h4,13H,1-3H2,(H2,9,12)(H,10,11)
InChIKeyHBCNWNAOFHLTBT-UHFFFAOYSA-N
XLogP-0.71
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine with MolForge

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Related Compounds

2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
CID 115015606
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
CID 115015957
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CID 115020549
6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 137095834
2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241537
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 79442335
2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582742
5-(oxolan-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 114196136
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 135860628) is 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)Nc2nc(C3CCOC3)[nH]c21.
What is the InChIKey of 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is HBCNWNAOFHLTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3S/c9-6-5-8(13-17(14,15)12-6)11-7(10-5)4-1-2-16-3-4/h4,13H,1-3H2,(H2,9,12)(H,10,11).
What are the key properties of 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 257.27 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 135860628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).