N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine

C18H16N2S — CID 719932

IUPACN-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine
SMILESC1=CN(c2ccccc2)C(/C=N/Cc2ccccc2)=CS1
InChIInChI=1S/C18H16N2S/c1-3-7-16(8-4-1)13-19-14-18-15-21-12-11-20(18)17-9-5-2-6-10-17/h1-12,14-15H,13H2/b19-14+
InChIKeyWGYQEQIUNBJYFF-XMHGGMMESA-N
MW292.41 g/mol
LogP4.82
Rot. Bonds4

About N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine

N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine (PubChem CID 719932) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine
PubChem CID719932
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC NameN-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine
SMILESC1=CN(c2ccccc2)C(/C=N/Cc2ccccc2)=CS1
InChIInChI=1S/C18H16N2S/c1-3-7-16(8-4-1)13-19-14-18-15-21-12-11-20(18)17-9-5-2-6-10-17/h1-12,14-15H,13H2/b19-14+
InChIKeyWGYQEQIUNBJYFF-XMHGGMMESA-N
XLogP4.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine 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-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine?
The IUPAC name of N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine (CID 719932) is N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine?
The canonical SMILES for N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine is C1=CN(c2ccccc2)C(/C=N/Cc2ccccc2)=CS1.
What is the InChIKey of N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine?
The InChIKey is WGYQEQIUNBJYFF-XMHGGMMESA-N. The full InChI is InChI=1S/C18H16N2S/c1-3-7-16(8-4-1)13-19-14-18-15-21-12-11-20(18)17-9-5-2-6-10-17/h1-12,14-15H,13H2/b19-14+.
What are the key properties of N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine?
N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine has a molecular weight of 292.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine is sourced from PubChem (CID 719932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).