N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

C11H13Cl2N3O3S — CID 43619929

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C11H13Cl2N3O3S/c12-7-4-8(13)11(9(14)5-7)15-10(17)6-16-2-1-3-20(16,18)19/h4-5H,1-3,6,14H2,(H,15,17)
InChIKeyYOTRQLUYJKONGS-UHFFFAOYSA-N
MW338.22 g/mol
LogP1.55
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (PubChem CID 43619929) has the molecular formula C11H13Cl2N3O3S and a molecular weight of 338.22 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
PubChem CID43619929
Molecular FormulaC11H13Cl2N3O3S
Molecular Weight338.22 g/mol
Exact Mass337.01
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C11H13Cl2N3O3S/c12-7-4-8(13)11(9(14)5-7)15-10(17)6-16-2-1-3-20(16,18)19/h4-5H,1-3,6,14H2,(H,15,17)
InChIKeyYOTRQLUYJKONGS-UHFFFAOYSA-N
XLogP1.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (CID 43619929) is N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CN1CCCS1(=O)=O.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The InChIKey is YOTRQLUYJKONGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O3S/c12-7-4-8(13)11(9(14)5-7)15-10(17)6-16-2-1-3-20(16,18)19/h4-5H,1-3,6,14H2,(H,15,17).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide has a molecular weight of 338.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 43619929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).