2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C19H24N4O2S — CID 135589748

IUPAC2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1S/C(=N/N=C2CCCCCCC2)NC1=O)Nc1ccccc1
InChIInChI=1S/C19H24N4O2S/c24-17(20-14-9-7-4-8-10-14)13-16-18(25)21-19(26-16)23-22-15-11-5-2-1-3-6-12-15/h4,7-10,16H,1-3,5-6,11-13H2,(H,20,24)(H,21,23,25)/t16-/m1/s1
InChIKeyBPFJLMSPFSJVSW-MRXNPFEDSA-N
MW372.49 g/mol
LogP3.70
Rot. Bonds4

About 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135589748) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135589748
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1S/C(=N/N=C2CCCCCCC2)NC1=O)Nc1ccccc1
InChIInChI=1S/C19H24N4O2S/c24-17(20-14-9-7-4-8-10-14)13-16-18(25)21-19(26-16)23-22-15-11-5-2-1-3-6-12-15/h4,7-10,16H,1-3,5-6,11-13H2,(H,20,24)(H,21,23,25)/t16-/m1/s1
InChIKeyBPFJLMSPFSJVSW-MRXNPFEDSA-N
XLogP3.70
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.70
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,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
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 135532243
N-(4-acetylphenyl)-2-[(2Z,5S)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136858491
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539235
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
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-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135589758
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423
2-[2-(cyclohexylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135974009
2-[2-(ethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135510892
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135589748) is 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(C[C@H]1S/C(=N/N=C2CCCCCCC2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is BPFJLMSPFSJVSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-17(20-14-9-7-4-8-10-14)13-16-18(25)21-19(26-16)23-22-15-11-5-2-1-3-6-12-15/h4,7-10,16H,1-3,5-6,11-13H2,(H,20,24)(H,21,23,25)/t16-/m1/s1.
What are the key properties of 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135589748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).