N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C24H26FN3O2S — CID 55435927

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCC(c3ccc(F)cc3)N3CCOCC3)cs2)cc1
InChIInChI=1S/C24H26FN3O2S/c1-17-2-4-19(5-3-17)24-27-21(16-31-24)14-23(29)26-15-22(28-10-12-30-13-11-28)18-6-8-20(25)9-7-18/h2-9,16,22H,10-15H2,1H3,(H,26,29)
InChIKeyVASTYEWHJGVNCH-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55435927) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55435927
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCC(c3ccc(F)cc3)N3CCOCC3)cs2)cc1
InChIInChI=1S/C24H26FN3O2S/c1-17-2-4-19(5-3-17)24-27-21(16-31-24)14-23(29)26-15-22(28-10-12-30-13-11-28)18-6-8-20(25)9-7-18/h2-9,16,22H,10-15H2,1H3,(H,26,29)
InChIKeyVASTYEWHJGVNCH-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55659912
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[4-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134011094
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 55435927) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)NCC(c3ccc(F)cc3)N3CCOCC3)cs2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is VASTYEWHJGVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-17-2-4-19(5-3-17)24-27-21(16-31-24)14-23(29)26-15-22(28-10-12-30-13-11-28)18-6-8-20(25)9-7-18/h2-9,16,22H,10-15H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55435927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).