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

C18H22Cl2N4O2S — CID 135494800

IUPACN-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCCC(CCC)=N/N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C18H22Cl2N4O2S/c1-3-5-11(6-4-2)23-24-18-22-17(26)15(27-18)10-16(25)21-12-7-8-13(19)14(20)9-12/h7-9,15H,3-6,10H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyXXBBKRHBISCKSK-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.87
Rot. Bonds8

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

N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135494800) has the molecular formula C18H22Cl2N4O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135494800
Molecular FormulaC18H22Cl2N4O2S
Molecular Weight429.37 g/mol
Exact Mass428.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCCC(CCC)=N/N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C18H22Cl2N4O2S/c1-3-5-11(6-4-2)23-24-18-22-17(26)15(27-18)10-16(25)21-12-7-8-13(19)14(20)9-12/h7-9,15H,3-6,10H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyXXBBKRHBISCKSK-UHFFFAOYSA-N
XLogP4.87
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.87
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-[(2E,5S)-2-[(Z)-4-methylpentan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135571968
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-[(5S)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137216979
N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705027
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-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-(pentan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137231628
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135494800) is N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCCC(CCC)=N/N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is XXBBKRHBISCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2S/c1-3-5-11(6-4-2)23-24-18-22-17(26)15(27-18)10-16(25)21-12-7-8-13(19)14(20)9-12/h7-9,15H,3-6,10H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 429.37 g/mol, XLogP of 4.87, 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-[(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135494800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).