2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide

C13H9F3N2O2S — CID 824469

IUPAC2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide
SMILESO=C(Cn1ccs/c1=N\C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)11(20)17-12-18(6-7-21-12)8-10(19)9-4-2-1-3-5-9/h1-7H,8H2/b17-12-
InChIKeyWPGKHJAEQXWLAZ-ATVHPVEESA-N
MW314.29 g/mol
LogP2.42
Rot. Bonds3

About 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide

2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 824469) has the molecular formula C13H9F3N2O2S and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID824469
Molecular FormulaC13H9F3N2O2S
Molecular Weight314.29 g/mol
Exact Mass314.03
IUPAC Name2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide
SMILESO=C(Cn1ccs/c1=N\C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)11(20)17-12-18(6-7-21-12)8-10(19)9-4-2-1-3-5-9/h1-7H,8H2/b17-12-
InChIKeyWPGKHJAEQXWLAZ-ATVHPVEESA-N
XLogP2.42
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[3-methyl-1,3-thiazol-2(3H)-yliden]benzenecarboxamide
CID 3723865
1-(4-Fluorophenyl)-2-(2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 544945
N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 5011011
N-(3-benzyl-1,3-thiazol-2-ylidene)benzamide
CID 273580
Acetamide, N-[3-[2-(4-bromophenyl)-2-oxoethyl]-2(3H)-thiazolylidene]-
CID 4058798
2-(2-Imino-1,3-thiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide
CID 6610663
N-[3-(2-Oxo-2-phenylethyl)-2-thiazolidinylidene]acetamide
CID 81156
N-[3-(4'-Phenylphenacyl)-4-thiazolin-2-ylidene]acetamide
CID 602192
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 126477131
1-(4-Fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide
CID 2798500
1-(4-Fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone bromide
CID 45108804
1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
CID 57119241

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide (CID 824469) is 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide is O=C(Cn1ccs/c1=N\C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is WPGKHJAEQXWLAZ-ATVHPVEESA-N. The full InChI is InChI=1S/C13H9F3N2O2S/c14-13(15,16)11(20)17-12-18(6-7-21-12)8-10(19)9-4-2-1-3-5-9/h1-7H,8H2/b17-12-.
What are the key properties of 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide?
2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 314.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-phenacyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 824469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).