N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C26H30FN5O2S — CID 135533930

IUPACN-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=NN=C1NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C26H30FN5O2S/c1-16-8-7-9-17(2)24(16)28-23(33)15-22-25(34)29-26(35-22)31-30-18(3)19-10-11-21(20(27)14-19)32-12-5-4-6-13-32/h7-11,14,22H,4-6,12-13,15H2,1-3H3,(H,28,33)(H,29,31,34)
InChIKeyFDRLELVTIZDQEV-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.77
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135533930) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135533930
Molecular FormulaC26H30FN5O2S
Molecular Weight495.62 g/mol
Exact Mass495.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=NN=C1NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C26H30FN5O2S/c1-16-8-7-9-17(2)24(16)28-23(33)15-22-25(34)29-26(35-22)31-30-18(3)19-10-11-21(20(27)14-19)32-12-5-4-6-13-32/h7-11,14,22H,4-6,12-13,15H2,1-3H3,(H,28,33)(H,29,31,34)
InChIKeyFDRLELVTIZDQEV-UHFFFAOYSA-N
XLogP4.77
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.77
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-(2,3-dimethylphenyl)-2-[(5R)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137054739
N-(3-acetylphenyl)-2-[(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135408374
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395
2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135667456
4-[[2-[(2E,5S)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135933076
N-(3-acetylphenyl)-2-[(2Z)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135426361
N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135750860
2-[(2E,5S)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 135659652
2-[(2Z)-2-[(E)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135422589
2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135877657
2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 135796453
N-(2,3-dimethylphenyl)-2-[(2E)-2-[1-(4-nitrophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135794699

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135533930) is N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC(=NN=C1NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is FDRLELVTIZDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c1-16-8-7-9-17(2)24(16)28-23(33)15-22-25(34)29-26(35-22)31-30-18(3)19-10-11-21(20(27)14-19)32-12-5-4-6-13-32/h7-11,14,22H,4-6,12-13,15H2,1-3H3,(H,28,33)(H,29,31,34).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 495.62 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-[1-(3-fluoro-4-piperidin-1-ylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135533930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).