N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C21H26N4O3S — CID 135539235

IUPACN-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCCC3)NC2=O)c1
InChIInChI=1S/C21H26N4O3S/c1-14(26)15-8-7-11-17(12-15)22-19(27)13-18-20(28)23-21(29-18)25-24-16-9-5-3-2-4-6-10-16/h7-8,11-12,18H,2-6,9-10,13H2,1H3,(H,22,27)(H,23,25,28)
InChIKeyKIVQZZUNMZHRQS-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.91
Rot. Bonds5

About N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135539235) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135539235
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCCC3)NC2=O)c1
InChIInChI=1S/C21H26N4O3S/c1-14(26)15-8-7-11-17(12-15)22-19(27)13-18-20(28)23-21(29-18)25-24-16-9-5-3-2-4-6-10-16/h7-8,11-12,18H,2-6,9-10,13H2,1H3,(H,22,27)(H,23,25,28)
InChIKeyKIVQZZUNMZHRQS-UHFFFAOYSA-N
XLogP3.91
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.91
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

2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136886862
N-(4-acetylphenyl)-2-[(2Z,5S)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136858491
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135589748
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135589758
N-(3-acetylphenyl)-2-[(2Z)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135426361
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 135532243
N-(3-acetylphenyl)-2-[(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135408374
N-(3-acetylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725340
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
2-[(2E)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135555691
2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 86261538

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135539235) is N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCCC3)NC2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is KIVQZZUNMZHRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-14(26)15-8-7-11-17(12-15)22-19(27)13-18-20(28)23-21(29-18)25-24-16-9-5-3-2-4-6-10-16/h7-8,11-12,18H,2-6,9-10,13H2,1H3,(H,22,27)(H,23,25,28).
What are the key properties of N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135539235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).