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

C23H22F3N3O2S — CID 55798401

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O2S/c24-23(25,26)19-14-18(29-8-10-31-11-9-29)6-7-20(19)28-21(30)13-17-15-32-22(27-17)12-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,28,30)
InChIKeyZRQWQVJMPCNJGJ-UHFFFAOYSA-N
MW461.51 g/mol
LogP4.77
Rot. Bonds6

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

2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55798401) has the molecular formula C23H22F3N3O2S and a molecular weight of 461.51 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide
PubChem CID55798401
Molecular FormulaC23H22F3N3O2S
Molecular Weight461.51 g/mol
Exact Mass461.14
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O2S/c24-23(25,26)19-14-18(29-8-10-31-11-9-29)6-7-20(19)28-21(30)13-17-15-32-22(27-17)12-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,28,30)
InChIKeyZRQWQVJMPCNJGJ-UHFFFAOYSA-N
XLogP4.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 55670780
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55788180
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 39267184
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 154859701
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16556831
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide (CID 55798401) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZRQWQVJMPCNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2S/c24-23(25,26)19-14-18(29-8-10-31-11-9-29)6-7-20(19)28-21(30)13-17-15-32-22(27-17)12-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,28,30).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 461.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55798401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).