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

C18H21IN4O2S — CID 135532243

IUPAC2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(CC1SC(=NN=C2CCCCCC2)NC1=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H21IN4O2S/c19-12-7-9-13(10-8-12)20-16(24)11-15-17(25)21-18(26-15)23-22-14-5-3-1-2-4-6-14/h7-10,15H,1-6,11H2,(H,20,24)(H,21,23,25)
InChIKeyVBJYMWZSGSDIDG-UHFFFAOYSA-N
MW484.36 g/mol
LogP3.92
Rot. Bonds4

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

2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide (PubChem CID 135532243) has the molecular formula C18H21IN4O2S and a molecular weight of 484.36 g/mol. Its IUPAC name is 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
PubChem CID135532243
Molecular FormulaC18H21IN4O2S
Molecular Weight484.36 g/mol
Exact Mass484.04
IUPAC Name2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(CC1SC(=NN=C2CCCCCC2)NC1=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H21IN4O2S/c19-12-7-9-13(10-8-12)20-16(24)11-15-17(25)21-18(26-15)23-22-14-5-3-1-2-4-6-14/h7-10,15H,1-6,11H2,(H,20,24)(H,21,23,25)
InChIKeyVBJYMWZSGSDIDG-UHFFFAOYSA-N
XLogP3.92
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135589748
N-(4-acetylphenyl)-2-[(2Z,5S)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136858491
2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 86261538
2-[(2E)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135555691
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-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539235
N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691853
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135589758
N-(4-iodophenyl)-2-[(2E)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135588619
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135600068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide (CID 135532243) is 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide is O=C(CC1SC(=NN=C2CCCCCC2)NC1=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is VBJYMWZSGSDIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN4O2S/c19-12-7-9-13(10-8-12)20-16(24)11-15-17(25)21-18(26-15)23-22-14-5-3-1-2-4-6-14/h7-10,15H,1-6,11H2,(H,20,24)(H,21,23,25).
What are the key properties of 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 484.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 135532243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).