N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine

C25H22N4O2S — CID 170773404

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine
SMILESO=S1(=O)CCN(c2ccc3cncc(N=C(c4ccccc4)c4ccccc4)c3n2)CC1
InChIInChI=1S/C25H22N4O2S/c30-32(31)15-13-29(14-16-32)23-12-11-21-17-26-18-22(25(21)28-23)27-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18H,13-16H2
InChIKeyCCUOXZDTKVQWHV-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.03
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine (PubChem CID 170773404) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine
PubChem CID170773404
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine
SMILESO=S1(=O)CCN(c2ccc3cncc(N=C(c4ccccc4)c4ccccc4)c3n2)CC1
InChIInChI=1S/C25H22N4O2S/c30-32(31)15-13-29(14-16-32)23-12-11-21-17-26-18-22(25(21)28-23)27-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18H,13-16H2
InChIKeyCCUOXZDTKVQWHV-UHFFFAOYSA-N
XLogP4.03
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine 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 N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine (CID 170773404) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine is O=S1(=O)CCN(c2ccc3cncc(N=C(c4ccccc4)c4ccccc4)c3n2)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine?
The InChIKey is CCUOXZDTKVQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c30-32(31)15-13-29(14-16-32)23-12-11-21-17-26-18-22(25(21)28-23)27-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18H,13-16H2.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine has a molecular weight of 442.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 170773404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).