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

C20H16Br2N4O2S — CID 21368873

IUPACN-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2C#N)S/C1=N\c1ccc(Br)cc1Br
InChIInChI=1S/C20H16Br2N4O2S/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-
InChIKeyHVXUNJBGSSDZGW-QQTULTPQSA-N
MW536.25 g/mol
LogP5.06
Rot. Bonds5

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

N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21368873) has the molecular formula C20H16Br2N4O2S and a molecular weight of 536.25 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID21368873
Molecular FormulaC20H16Br2N4O2S
Molecular Weight536.25 g/mol
Exact Mass533.94
IUPAC NameN-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2C#N)S/C1=N\c1ccc(Br)cc1Br
InChIInChI=1S/C20H16Br2N4O2S/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-
InChIKeyHVXUNJBGSSDZGW-QQTULTPQSA-N
XLogP5.06
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.25
LogP ≤ 55.06
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-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 21368873) is N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2C#N)S/C1=N\c1ccc(Br)cc1Br.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is HVXUNJBGSSDZGW-QQTULTPQSA-N. The full InChI is InChI=1S/C20H16Br2N4O2S/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-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 536.25 g/mol, XLogP of 5.06, 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-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21368873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).