2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H15F3N4O3S — CID 135599472

IUPAC2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESC/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1
InChIInChI=1S/C18H15F3N4O3S/c1-10(13-7-4-8-28-13)24-25-17-23-16(27)14(29-17)9-15(26)22-12-6-3-2-5-11(12)18(19,20)21/h2-8,14H,9H2,1H3,(H,22,26)(H,23,25,27)/b24-10+
InChIKeyFCQYTTVNKBZVPE-YSURURNPSA-N
MW424.40 g/mol
LogP3.64
Rot. Bonds5

About 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 135599472) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID135599472
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESC/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1
InChIInChI=1S/C18H15F3N4O3S/c1-10(13-7-4-8-28-13)24-25-17-23-16(27)14(29-17)9-15(26)22-12-6-3-2-5-11(12)18(19,20)21/h2-8,14H,9H2,1H3,(H,22,26)(H,23,25,27)/b24-10+
InChIKeyFCQYTTVNKBZVPE-YSURURNPSA-N
XLogP3.64
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
2-[(2E)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 137249079
2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135568863
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-(2-bromophenyl)-2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135747373
2-[(2Z)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135426326
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135834005
2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 172919886
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 135599472) is 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1.
What is the InChIKey of 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FCQYTTVNKBZVPE-YSURURNPSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-10(13-7-4-8-28-13)24-25-17-23-16(27)14(29-17)9-15(26)22-12-6-3-2-5-11(12)18(19,20)21/h2-8,14H,9H2,1H3,(H,22,26)(H,23,25,27)/b24-10+.
What are the key properties of 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 424.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135599472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).