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

C22H19F4N3O2S — CID 16556831

IUPAC2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H19F4N3O2S/c23-16-4-1-14(2-5-16)21-27-17(13-32-21)12-20(30)28-18-11-15(22(24,25)26)3-6-19(18)29-7-9-31-10-8-29/h1-6,11,13H,7-10,12H2,(H,28,30)
InChIKeyCRJSZCJPTWETLL-UHFFFAOYSA-N
MW465.47 g/mol
LogP4.99
Rot. Bonds5

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 16556831) has the molecular formula C22H19F4N3O2S and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID16556831
Molecular FormulaC22H19F4N3O2S
Molecular Weight465.47 g/mol
Exact Mass465.11
IUPAC Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H19F4N3O2S/c23-16-4-1-14(2-5-16)21-27-17(13-32-21)12-20(30)28-18-11-15(22(24,25)26)3-6-19(18)29-7-9-31-10-8-29/h1-6,11,13H,7-10,12H2,(H,28,30)
InChIKeyCRJSZCJPTWETLL-UHFFFAOYSA-N
XLogP4.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 16556831) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CRJSZCJPTWETLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2S/c23-16-4-1-14(2-5-16)21-27-17(13-32-21)12-20(30)28-18-11-15(22(24,25)26)3-6-19(18)29-7-9-31-10-8-29/h1-6,11,13H,7-10,12H2,(H,28,30).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16556831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).