2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide

C18H23N3O3S — CID 135673145

IUPAC2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-2-24-14-9-7-13(8-10-14)19-16(22)11-15-17(23)21-18(25-15)20-12-5-3-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,19,22)(H,20,21,23)/t15-/m0/s1
InChIKeyOQKGQGUKLOVGCA-HNNXBMFYSA-N
MW361.47 g/mol
LogP2.94
Rot. Bonds6

About 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide

2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 135673145) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID135673145
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-2-24-14-9-7-13(8-10-14)19-16(22)11-15-17(23)21-18(25-15)20-12-5-3-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,19,22)(H,20,21,23)/t15-/m0/s1
InChIKeyOQKGQGUKLOVGCA-HNNXBMFYSA-N
XLogP2.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135691912
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135890287
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147
2-[2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135400709
N-(4-ethoxyphenyl)-2-[2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135448091
2-[(2E)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500801
N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135673076
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide (CID 135673145) is 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1.
What is the InChIKey of 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is OQKGQGUKLOVGCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-24-14-9-7-13(8-10-14)19-16(22)11-15-17(23)21-18(25-15)20-12-5-3-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,19,22)(H,20,21,23)/t15-/m0/s1.
What are the key properties of 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide?
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 135673145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).