N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C16H19Cl2N3O3S — CID 135705027

IUPACN-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C16H19Cl2N3O3S/c1-2-24-7-3-6-19-16-21-15(23)13(25-16)9-14(22)20-10-4-5-11(17)12(18)8-10/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,20,22)(H,19,21,23)/t13-/m1/s1
InChIKeyYHGNGTQEVYAICF-CYBMUJFWSA-N
MW404.32 g/mol
LogP3.34
Rot. Bonds8

About N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135705027) has the molecular formula C16H19Cl2N3O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135705027
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC NameN-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C16H19Cl2N3O3S/c1-2-24-7-3-6-19-16-21-15(23)13(25-16)9-14(22)20-10-4-5-11(17)12(18)8-10/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,20,22)(H,19,21,23)/t13-/m1/s1
InChIKeyYHGNGTQEVYAICF-CYBMUJFWSA-N
XLogP3.34
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705036
2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135705020
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135494800
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135691792
N-(4-bromophenyl)-2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691786
N-(3,4-dichlorophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725343
N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135571968
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135797682
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724972
N-(4-bromophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691443
2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 136769028

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135705027) is N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YHGNGTQEVYAICF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S/c1-2-24-7-3-6-19-16-21-15(23)13(25-16)9-14(22)20-10-4-5-11(17)12(18)8-10/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,20,22)(H,19,21,23)/t13-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 404.32 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).