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

C17H15N5O2S — CID 503150

IUPAC1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)[nH]c21
InChIInChI=1S/C17H15N5O2S/c18-15-14-17(20-16(19-14)13-9-5-2-6-10-13)22(25(23,24)21-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyAIOAPRDQNULXOA-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.05
Rot. Bonds3

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

1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 503150) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID503150
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)[nH]c21
InChIInChI=1S/C17H15N5O2S/c18-15-14-17(20-16(19-14)13-9-5-2-6-10-13)22(25(23,24)21-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyAIOAPRDQNULXOA-UHFFFAOYSA-N
XLogP2.05
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine with MolForge

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Related Compounds

2,4,5-Triphenylimidazole
CID 10232
4,5-Diphenyl-2-methylimidazole
CID 236696
1H-Imidazol-2-amine, 4,5-diphenyl-
CID 616595
2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole
CID 800028
2-cyclohexyl-4,5-diphenyl-1H-imidazole
CID 1521754
3-Benzyladenine
CID 135404233
8-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740697
3-[(2,6-dichlorophenyl)methyl]-8-phenyl-7H-purin-6-imine
CID 138740751
8-(2-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740818
8-(3-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740903
4,5-Diphenyl-2-(propan-2-yl)-1h-imidazole
CID 294543
1-[(4-chlorophenyl)methyl]-6-(2-fluorophenyl)-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 46898369

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 503150) is 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)[nH]c21.
What is the InChIKey of 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is AIOAPRDQNULXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c18-15-14-17(20-16(19-14)13-9-5-2-6-10-13)22(25(23,24)21-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,21)(H,19,20).
What are the key properties of 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 353.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 503150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).