1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine

C21H18F3N3OS — CID 2408039

IUPAC1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H18F3N3OS/c22-21(23,24)16-6-8-17(9-7-16)25-14-18-19(15-4-2-1-3-5-15)26-20(29-18)27-10-12-28-13-11-27/h1-9,14H,10-13H2/b25-14+
InChIKeyZLAPFEJQQLVJAI-AFUMVMLFSA-N
MW417.46 g/mol
LogP5.42
Rot. Bonds4

About 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine

1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 2408039) has the molecular formula C21H18F3N3OS and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID2408039
Molecular FormulaC21H18F3N3OS
Molecular Weight417.46 g/mol
Exact Mass417.11
IUPAC Name1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H18F3N3OS/c22-21(23,24)16-6-8-17(9-7-16)25-14-18-19(15-4-2-1-3-5-15)26-20(29-18)27-10-12-28-13-11-27/h1-9,14H,10-13H2/b25-14+
InChIKeyZLAPFEJQQLVJAI-AFUMVMLFSA-N
XLogP5.42
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]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 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine (CID 2408039) is 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is ZLAPFEJQQLVJAI-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H18F3N3OS/c22-21(23,24)16-6-8-17(9-7-16)25-14-18-19(15-4-2-1-3-5-15)26-20(29-18)27-10-12-28-13-11-27/h1-9,14H,10-13H2/b25-14+.
What are the key properties of 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine?
1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 417.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 2408039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).