N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C17H22N4O3S — CID 137231628

IUPACN-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCCCC(C)=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S1
InChIInChI=1S/C17H22N4O3S/c1-4-5-11(2)20-21-17-19-16(23)14(25-17)10-15(22)18-12-6-8-13(24-3)9-7-12/h6-9,14H,4-5,10H2,1-3H3,(H,18,22)(H,19,21,23)/t14-/m1/s1
InChIKeyZMXLJMYJGJELJW-CQSZACIVSA-N
MW362.46 g/mol
LogP2.79
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 137231628) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID137231628
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCCCC(C)=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S1
InChIInChI=1S/C17H22N4O3S/c1-4-5-11(2)20-21-17-19-16(23)14(25-17)10-15(22)18-12-6-8-13(24-3)9-7-12/h6-9,14H,4-5,10H2,1-3H3,(H,18,22)(H,19,21,23)/t14-/m1/s1
InChIKeyZMXLJMYJGJELJW-CQSZACIVSA-N
XLogP2.79
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.79
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-[(2E)-2-(butan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135666051
2-[(2Z)-2-[(E)-3,3-dimethylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 171982494
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
2-[2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135400709
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135725303
2-[(2E)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135706987
2-[(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135659010
N-(4-ethoxyphenyl)-2-[2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135448091
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135922742
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 137231628) is N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is CCCC(C)=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ZMXLJMYJGJELJW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-4-5-11(2)20-21-17-19-16(23)14(25-17)10-15(22)18-12-6-8-13(24-3)9-7-12/h6-9,14H,4-5,10H2,1-3H3,(H,18,22)(H,19,21,23)/t14-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 362.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 137231628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).