1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine

C24H27N5O2S — CID 46842840

IUPAC1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(C3CCCCC3)n(Cc3ccccc3)c21
InChIInChI=1S/C24H27N5O2S/c25-22-21-24(29(32(30,31)27-22)17-19-12-6-2-7-13-19)26-23(20-14-8-3-9-15-20)28(21)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H2,25,27)
InChIKeyAMRBTCQIXZXEGO-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.95
Rot. Bonds5

About 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine

1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 46842840) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID46842840
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(C3CCCCC3)n(Cc3ccccc3)c21
InChIInChI=1S/C24H27N5O2S/c25-22-21-24(29(32(30,31)27-22)17-19-12-6-2-7-13-19)26-23(20-14-8-3-9-15-20)28(21)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H2,25,27)
InChIKeyAMRBTCQIXZXEGO-UHFFFAOYSA-N
XLogP3.95
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 46842840) is 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(C3CCCCC3)n(Cc3ccccc3)c21.
What is the InChIKey of 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is AMRBTCQIXZXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c25-22-21-24(29(32(30,31)27-22)17-19-12-6-2-7-13-19)26-23(20-14-8-3-9-15-20)28(21)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H2,25,27).
What are the key properties of 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 449.58 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-6-cyclohexyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 46842840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).