(E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine

C21H21N3OS — CID 73345963

IUPAC(E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCc1ccc(/C=N/c2nc(-c3ccc(N4CCOCC4)cc3)cs2)cc1
InChIInChI=1S/C21H21N3OS/c1-16-2-4-17(5-3-16)14-22-21-23-20(15-26-21)18-6-8-19(9-7-18)24-10-12-25-13-11-24/h2-9,14-15H,10-13H2,1H3/b22-14+
InChIKeyOKLSHMQIVOJKRE-HYARGMPZSA-N
MW363.49 g/mol
LogP4.71
Rot. Bonds4

About (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine

(E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine (PubChem CID 73345963) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine
PubChem CID73345963
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCc1ccc(/C=N/c2nc(-c3ccc(N4CCOCC4)cc3)cs2)cc1
InChIInChI=1S/C21H21N3OS/c1-16-2-4-17(5-3-16)14-22-21-23-20(15-26-21)18-6-8-19(9-7-18)24-10-12-25-13-11-24/h2-9,14-15H,10-13H2,1H3/b22-14+
InChIKeyOKLSHMQIVOJKRE-HYARGMPZSA-N
XLogP4.71
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-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 (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine (CID 73345963) is (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine is Cc1ccc(/C=N/c2nc(-c3ccc(N4CCOCC4)cc3)cs2)cc1.
What is the InChIKey of (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is OKLSHMQIVOJKRE-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-16-2-4-17(5-3-16)14-22-21-23-20(15-26-21)18-6-8-19(9-7-18)24-10-12-25-13-11-24/h2-9,14-15H,10-13H2,1H3/b22-14+.
What are the key properties of (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine?
(E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 363.49 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)-N-[4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 73345963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).