N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H20N4O3S2 — CID 135726089

IUPACN-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2S/C(=N/N=C\c3ccc(C)s3)NC2=O)cc1
InChIInChI=1S/C19H20N4O3S2/c1-3-26-14-7-5-13(6-8-14)21-17(24)10-16-18(25)22-19(28-16)23-20-11-15-9-4-12(2)27-15/h4-9,11,16H,3,10H2,1-2H3,(H,21,24)(H,22,23,25)/b20-11-/t16-/m1/s1
InChIKeyCAUMDJDWDYAXGC-IWEBCOIVSA-N
MW416.53 g/mol
LogP3.41
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135726089) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135726089
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2S/C(=N/N=C\c3ccc(C)s3)NC2=O)cc1
InChIInChI=1S/C19H20N4O3S2/c1-3-26-14-7-5-13(6-8-14)21-17(24)10-16-18(25)22-19(28-16)23-20-11-15-9-4-12(2)27-15/h4-9,11,16H,3,10H2,1-2H3,(H,21,24)(H,22,23,25)/b20-11-/t16-/m1/s1
InChIKeyCAUMDJDWDYAXGC-IWEBCOIVSA-N
XLogP3.41
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-ethoxyphenyl)-2-[2-[(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135543393
2-[(2E)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500801
N-(4-ethoxyphenyl)-2-[(2Z)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422532
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837
2-[4-[(Z)-[(Z)-[(5S)-5-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 136802950
N-(4-ethoxyphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135827805
N-(4-ethoxyphenyl)-2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135575286
2-[2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135400709
2-[(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500775
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135501579
N-(4-ethoxyphenyl)-2-[2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135448091

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135726089) is N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOc1ccc(NC(=O)C[C@H]2S/C(=N/N=C\c3ccc(C)s3)NC2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is CAUMDJDWDYAXGC-IWEBCOIVSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-3-26-14-7-5-13(6-8-14)21-17(24)10-16-18(25)22-19(28-16)23-20-11-15-9-4-12(2)27-15/h4-9,11,16H,3,10H2,1-2H3,(H,21,24)(H,22,23,25)/b20-11-/t16-/m1/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2E,5R)-2-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135726089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).