N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H16Cl2N4O2S — CID 21368837

IUPACN-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2C#N)S/C1=N\c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N4O2S/c1-2-26-19(28)17(10-18(27)24-15-6-4-3-5-12(15)11-23)29-20(26)25-16-8-7-13(21)9-14(16)22/h3-9,17H,2,10H2,1H3,(H,24,27)/b25-20-
InChIKeyBRMJDPABWGWCSO-QQTULTPQSA-N
MW447.35 g/mol
LogP4.85
Rot. Bonds5

About N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21368837) has the molecular formula C20H16Cl2N4O2S and a molecular weight of 447.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID21368837
Molecular FormulaC20H16Cl2N4O2S
Molecular Weight447.35 g/mol
Exact Mass446.04
IUPAC NameN-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2C#N)S/C1=N\c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N4O2S/c1-2-26-19(28)17(10-18(27)24-15-6-4-3-5-12(15)11-23)29-20(26)25-16-8-7-13(21)9-14(16)22/h3-9,17H,2,10H2,1H3,(H,24,27)/b25-20-
InChIKeyBRMJDPABWGWCSO-QQTULTPQSA-N
XLogP4.85
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 21368837) is N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2C#N)S/C1=N\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BRMJDPABWGWCSO-QQTULTPQSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2S/c1-2-26-19(28)17(10-18(27)24-15-6-4-3-5-12(15)11-23)29-20(26)25-16-8-7-13(21)9-14(16)22/h3-9,17H,2,10H2,1H3,(H,24,27)/b25-20-.
What are the key properties of N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 447.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21368837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).