5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H25N5O3S — CID 59612337

IUPAC5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1
InChIInChI=1S/C24H25N5O3S/c1-32-21-11-9-20(10-12-21)25-24-26-23-4-2-3-22(29(23)27-24)19-7-5-18(6-8-19)17-28-13-15-33(30,31)16-14-28/h2-12H,13-17H2,1H3,(H,25,27)
InChIKeyGNYIGMZJKXOFTL-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.38
Rot. Bonds6

About 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612337) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612337
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1
InChIInChI=1S/C24H25N5O3S/c1-32-21-11-9-20(10-12-21)25-24-26-23-4-2-3-22(29(23)27-24)19-7-5-18(6-8-19)17-28-13-15-33(30,31)16-14-28/h2-12H,13-17H2,1H3,(H,25,27)
InChIKeyGNYIGMZJKXOFTL-UHFFFAOYSA-N
XLogP3.38
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612337) is 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1.
What is the InChIKey of 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GNYIGMZJKXOFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-32-21-11-9-20(10-12-21)25-24-26-23-4-2-3-22(29(23)27-24)19-7-5-18(6-8-19)17-28-13-15-33(30,31)16-14-28/h2-12H,13-17H2,1H3,(H,25,27).
What are the key properties of 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 463.56 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).