N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H20Cl2N4O2S — CID 135571968

IUPACN-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/C(CC(C)C)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C17H20Cl2N4O2S/c1-9(2)6-10(3)22-23-17-21-16(25)14(26-17)8-15(24)20-11-4-5-12(18)13(19)7-11/h4-5,7,9,14H,6,8H2,1-3H3,(H,20,24)(H,21,23,25)/b22-10-/t14-/m0/s1
InChIKeyRNQGULCZIHCLMY-ISNLTARASA-N
MW415.35 g/mol
LogP4.33
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135571968) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135571968
Molecular FormulaC17H20Cl2N4O2S
Molecular Weight415.35 g/mol
Exact Mass414.07
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/C(CC(C)C)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C17H20Cl2N4O2S/c1-9(2)6-10(3)22-23-17-21-16(25)14(26-17)8-15(24)20-11-4-5-12(18)13(19)7-11/h4-5,7,9,14H,6,8H2,1-3H3,(H,20,24)(H,21,23,25)/b22-10-/t14-/m0/s1
InChIKeyRNQGULCZIHCLMY-ISNLTARASA-N
XLogP4.33
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135494800
N-(3-chloro-4-methylphenyl)-2-[(5S)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137216979
N-(3,4-dichlorophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725343
2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 136769028
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724972
N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705027
N-(4-fluorophenyl)-2-[(2Z)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422562
N-(3,4-dichlorophenyl)-2-[4-oxo-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135430101
2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 135512674
N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852306
N-(4-iodophenyl)-2-[(2E)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135588619
2-[(2E)-2-(butan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135666051

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135571968) is N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is C/C(CC(C)C)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RNQGULCZIHCLMY-ISNLTARASA-N. The full InChI is InChI=1S/C17H20Cl2N4O2S/c1-9(2)6-10(3)22-23-17-21-16(25)14(26-17)8-15(24)20-11-4-5-12(18)13(19)7-11/h4-5,7,9,14H,6,8H2,1-3H3,(H,20,24)(H,21,23,25)/b22-10-/t14-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 415.35 g/mol, XLogP of 4.33, 6 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-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135571968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).