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

C23H21F3N4O3S — CID 86293019

IUPAC3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ncc(-c3ccccc3)s2)ccc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3S/c24-23(25,26)17-7-6-16(12-18(17)28-20(31)14-30-8-10-33-11-9-30)21(32)29-22-27-13-19(34-22)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,28,31)(H,27,29,32)
InChIKeyVSGJPJQOEZVFCY-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.35
Rot. Bonds6

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

3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 86293019) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID86293019
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC Name3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ncc(-c3ccccc3)s2)ccc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3S/c24-23(25,26)17-7-6-16(12-18(17)28-20(31)14-30-8-10-33-11-9-30)21(32)29-22-27-13-19(34-22)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,28,31)(H,27,29,32)
InChIKeyVSGJPJQOEZVFCY-UHFFFAOYSA-N
XLogP4.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide 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 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 86293019) is 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ncc(-c3ccccc3)s2)ccc1C(F)(F)F.
What is the InChIKey of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is VSGJPJQOEZVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c24-23(25,26)17-7-6-16(12-18(17)28-20(31)14-30-8-10-33-11-9-30)21(32)29-22-27-13-19(34-22)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,28,31)(H,27,29,32).
What are the key properties of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 490.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86293019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).