2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

C21H18F3N3O2S — CID 89261147

IUPAC2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESO=C(Nc1sc(-c2cccc(N3CCOCC3)c2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18F3N3O2S/c22-21(23,24)20(28)26-19-17(14-5-2-1-3-6-14)25-18(30-19)15-7-4-8-16(13-15)27-9-11-29-12-10-27/h1-8,13H,9-12H2,(H,26,28)
InChIKeyXAUSEFPNGBOFOG-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.81
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (PubChem CID 89261147) has the molecular formula C21H18F3N3O2S and a molecular weight of 433.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
PubChem CID89261147
Molecular FormulaC21H18F3N3O2S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESO=C(Nc1sc(-c2cccc(N3CCOCC3)c2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18F3N3O2S/c22-21(23,24)20(28)26-19-17(14-5-2-1-3-6-14)25-18(30-19)15-7-4-8-16(13-15)27-9-11-29-12-10-27/h1-8,13H,9-12H2,(H,26,28)
InChIKeyXAUSEFPNGBOFOG-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide 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 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (CID 89261147) is 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is O=C(Nc1sc(-c2cccc(N3CCOCC3)c2)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is XAUSEFPNGBOFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2S/c22-21(23,24)20(28)26-19-17(14-5-2-1-3-6-14)25-18(30-19)15-7-4-8-16(13-15)27-9-11-29-12-10-27/h1-8,13H,9-12H2,(H,26,28).
What are the key properties of 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 433.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 89261147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).