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

C14H16N4O4S — CID 135725400

IUPAC2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C[C@H]2S/C(=N/NC(C)=O)NC2=O)c1
InChIInChI=1S/C14H16N4O4S/c1-8(19)17-18-14-16-13(21)11(23-14)7-12(20)15-9-4-3-5-10(6-9)22-2/h3-6,11H,7H2,1-2H3,(H,15,20)(H,17,19)(H,16,18,21)/t11-/m1/s1
InChIKeyJGIKAAXBHYOARH-LLVKDONJSA-N
MW336.37 g/mol
LogP0.66
Rot. Bonds5

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

2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 135725400) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID135725400
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C[C@H]2S/C(=N/NC(C)=O)NC2=O)c1
InChIInChI=1S/C14H16N4O4S/c1-8(19)17-18-14-16-13(21)11(23-14)7-12(20)15-9-4-3-5-10(6-9)22-2/h3-6,11H,7H2,1-2H3,(H,15,20)(H,17,19)(H,16,18,21)/t11-/m1/s1
InChIKeyJGIKAAXBHYOARH-LLVKDONJSA-N
XLogP0.66
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
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-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704975
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135691436
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704934
2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135463838
2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704933
2-[(2E,5S)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 135725374
2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135705020
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135487927
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691504
N-(3,4-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135828133
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135640980

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide (CID 135725400) is 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)C[C@H]2S/C(=N/NC(C)=O)NC2=O)c1.
What is the InChIKey of 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JGIKAAXBHYOARH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-8(19)17-18-14-16-13(21)11(23-14)7-12(20)15-9-4-3-5-10(6-9)22-2/h3-6,11H,7H2,1-2H3,(H,15,20)(H,17,19)(H,16,18,21)/t11-/m1/s1.
What are the key properties of 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 336.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 135725400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).