2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H19F3N4O2S — CID 172919886

IUPAC2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1SC(=N/N=C2\CCCc3ccccc32)NC1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H19F3N4O2S/c23-22(24,25)15-9-3-4-10-17(15)26-19(30)12-18-20(31)27-21(32-18)29-28-16-11-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-10,18H,5,7,11-12H2,(H,26,30)(H,27,29,31)/b28-16+
InChIKeyODWOLQNMRLYCNO-LQKURTRISA-N
MW460.48 g/mol
LogP4.36
Rot. Bonds4

About 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 172919886) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID172919886
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC Name2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1SC(=N/N=C2\CCCc3ccccc32)NC1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H19F3N4O2S/c23-22(24,25)15-9-3-4-10-17(15)26-19(30)12-18-20(31)27-21(32-18)29-28-16-11-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-10,18H,5,7,11-12H2,(H,26,30)(H,27,29,31)/b28-16+
InChIKeyODWOLQNMRLYCNO-LQKURTRISA-N
XLogP4.36
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135422560
2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135572131
2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135998691
2-[2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-octylacetamide
CID 136914396
N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834241
2-[(2E)-2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135780226
2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135488410
2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691620
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691489
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135600068
2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135599472
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 172919886) is 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CC1SC(=N/N=C2\CCCc3ccccc32)NC1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ODWOLQNMRLYCNO-LQKURTRISA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c23-22(24,25)15-9-3-4-10-17(15)26-19(30)12-18-20(31)27-21(32-18)29-28-16-11-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-10,18H,5,7,11-12H2,(H,26,30)(H,27,29,31)/b28-16+.
What are the key properties of 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 460.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 172919886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).