N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C20H20N4O3S — CID 135779978

IUPACN-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/N=C(/C)c2ccccc2)NC1=O
InChIInChI=1S/C20H20N4O3S/c1-13(14-8-4-3-5-9-14)23-24-20-22-19(26)17(28-20)12-18(25)21-15-10-6-7-11-16(15)27-2/h3-11,17H,12H2,1-2H3,(H,21,25)(H,22,24,26)/b23-13-/t17-/m0/s1
InChIKeyCCPGVHWHTKEMKG-ICODJCHTSA-N
MW396.47 g/mol
LogP3.04
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135779978) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135779978
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/N=C(/C)c2ccccc2)NC1=O
InChIInChI=1S/C20H20N4O3S/c1-13(14-8-4-3-5-9-14)23-24-20-22-19(26)17(28-20)12-18(25)21-15-10-6-7-11-16(15)27-2/h3-11,17H,12H2,1-2H3,(H,21,25)(H,22,24,26)/b23-13-/t17-/m0/s1
InChIKeyCCPGVHWHTKEMKG-ICODJCHTSA-N
XLogP3.04
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.04
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-methoxyphenyl)-2-[4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135527947
2-[(2Z)-2-[(E)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135408375
2-[(5R)-2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 137231455
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395
N-(2,3-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828396
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-ethyl-2-[4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172942517
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
N-(2-bromophenyl)-2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135747373
N-(3-acetylphenyl)-2-[(2Z)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135426361
N-(2,3-dimethylphenyl)-2-[(5R)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137054739

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135779978) is N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is COc1ccccc1NC(=O)C[C@@H]1S/C(=N/N=C(/C)c2ccccc2)NC1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is CCPGVHWHTKEMKG-ICODJCHTSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13(14-8-4-3-5-9-14)23-24-20-22-19(26)17(28-20)12-18(25)21-15-10-6-7-11-16(15)27-2/h3-11,17H,12H2,1-2H3,(H,21,25)(H,22,24,26)/b23-13-/t17-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135779978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).