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

C6H9N5O2S — CID 135860629

IUPAC6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c([nH]1)C(N)=NS(=O)(=O)N2
InChIInChI=1S/C6H9N5O2S/c1-2-3-8-4-5(7)10-14(12,13)11-6(4)9-3/h11H,2H2,1H3,(H2,7,10)(H,8,9)
InChIKeyYHHASLPGKBJZTI-UHFFFAOYSA-N
MW215.24 g/mol
LogP-0.65
Rot. Bonds1

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

6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 135860629) has the molecular formula C6H9N5O2S and a molecular weight of 215.24 g/mol. Its IUPAC name is 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID135860629
Molecular FormulaC6H9N5O2S
Molecular Weight215.24 g/mol
Exact Mass215.05
IUPAC Name6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c([nH]1)C(N)=NS(=O)(=O)N2
InChIInChI=1S/C6H9N5O2S/c1-2-3-8-4-5(7)10-14(12,13)11-6(4)9-3/h11H,2H2,1H3,(H2,7,10)(H,8,9)
InChIKeyYHHASLPGKBJZTI-UHFFFAOYSA-N
XLogP-0.65
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 135860629) is 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is CCc1nc2c([nH]1)C(N)=NS(=O)(=O)N2.
What is the InChIKey of 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is YHHASLPGKBJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S/c1-2-3-8-4-5(7)10-14(12,13)11-6(4)9-3/h11H,2H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 215.24 g/mol, XLogP of -0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 135860629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).