N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine

C22H18N2S — CID 2202917

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1
InChIInChI=1S/C22H18N2S/c1-15-4-3-5-17(12-15)14-23-19-9-7-18(8-10-19)22-24-20-11-6-16(2)13-21(20)25-22/h3-14H,1-2H3/b23-14+
InChIKeyRDANXPSBTSMCAV-OEAKJJBVSA-N
MW342.47 g/mol
LogP6.33
Rot. Bonds3

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine (PubChem CID 2202917) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine
PubChem CID2202917
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1
InChIInChI=1S/C22H18N2S/c1-15-4-3-5-17(12-15)14-23-19-9-7-18(8-10-19)22-24-20-11-6-16(2)13-21(20)25-22/h3-14H,1-2H3/b23-14+
InChIKeyRDANXPSBTSMCAV-OEAKJJBVSA-N
XLogP6.33
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)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-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine (CID 2202917) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine?
The InChIKey is RDANXPSBTSMCAV-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N2S/c1-15-4-3-5-17(12-15)14-23-19-9-7-18(8-10-19)22-24-20-11-6-16(2)13-21(20)25-22/h3-14H,1-2H3/b23-14+.
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine has a molecular weight of 342.47 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 2202917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).