1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

C11H11N5O2S — CID 46899192

IUPAC1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESCN1c2nc(-c3ccccc3)[nH]c2C(N)=NS1(=O)=O
InChIInChI=1S/C11H11N5O2S/c1-16-11-8(9(12)15-19(16,17)18)13-10(14-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyBTBNWOMYGMLDCO-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.48
Rot. Bonds1

About 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 46899192) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID46899192
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESCN1c2nc(-c3ccccc3)[nH]c2C(N)=NS1(=O)=O
InChIInChI=1S/C11H11N5O2S/c1-16-11-8(9(12)15-19(16,17)18)13-10(14-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyBTBNWOMYGMLDCO-UHFFFAOYSA-N
XLogP0.48
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 46899192) is 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine is CN1c2nc(-c3ccccc3)[nH]c2C(N)=NS1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is BTBNWOMYGMLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-16-11-8(9(12)15-19(16,17)18)13-10(14-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 277.31 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 46899192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).