N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine

C13H13NS — CID 964410

IUPACN-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccc(C)s2)cc1
InChIInChI=1S/C13H13NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h3-9H,1-2H3/b14-9+
InChIKeyUNIWLXIBVGELLA-NTEUORMPSA-N
MW215.32 g/mol
LogP4.12
Rot. Bonds2

About N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine

N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine (PubChem CID 964410) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine
PubChem CID964410
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC NameN-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccc(C)s2)cc1
InChIInChI=1S/C13H13NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h3-9H,1-2H3/b14-9+
InChIKeyUNIWLXIBVGELLA-NTEUORMPSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-1-(5-methylthiophen-2-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-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine?
The IUPAC name of N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine (CID 964410) is N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine?
The canonical SMILES for N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine is Cc1ccc(/N=C/c2ccc(C)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine?
The InChIKey is UNIWLXIBVGELLA-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h3-9H,1-2H3/b14-9+.
What are the key properties of N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine?
N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine has a molecular weight of 215.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)methanimine is sourced from PubChem (CID 964410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).