2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine

C8H7N5O2S2 — CID 135408996

IUPAC2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2nc(-c3cccs3)[nH]c21
InChIInChI=1S/C8H7N5O2S2/c9-6-5-8(13-17(14,15)12-6)11-7(10-5)4-2-1-3-16-4/h1-3,13H,(H2,9,12)(H,10,11)
InChIKeyOAXGSGHFDQNZQI-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.51
Rot. Bonds1

About 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine

2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 135408996) has the molecular formula C8H7N5O2S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID135408996
Molecular FormulaC8H7N5O2S2
Molecular Weight269.31 g/mol
Exact Mass269.00
IUPAC Name2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2nc(-c3cccs3)[nH]c21
InChIInChI=1S/C8H7N5O2S2/c9-6-5-8(13-17(14,15)12-6)11-7(10-5)4-2-1-3-16-4/h1-3,13H,(H2,9,12)(H,10,11)
InChIKeyOAXGSGHFDQNZQI-UHFFFAOYSA-N
XLogP0.51
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine with MolForge

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Related Compounds

3-hydroxy-3-oxo-8-thiophen-2-yl-3λ6-thia-2,4,7,9-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-5-imine
CID 135451573
6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 135860629
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
6-fluoro-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 82337330
4-fluoro-2-thiophen-2-yl-1H-benzimidazole
CID 60978499
2-methyl-5-thiophen-2-yl-4H-1,2,4-triazol-3-one
CID 137219354
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
CID 135436359
2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole
CID 4138578
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
2-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477146
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 135408996) is 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)Nc2nc(-c3cccs3)[nH]c21.
What is the InChIKey of 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is OAXGSGHFDQNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S2/c9-6-5-8(13-17(14,15)12-6)11-7(10-5)4-2-1-3-16-4/h1-3,13H,(H2,9,12)(H,10,11).
What are the key properties of 2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 0.51, 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-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 135408996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).