2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C13H12Cl2N2O3S2 — CID 2085853

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H12Cl2N2O3S2/c14-8-1-2-9(15)10(5-8)21-6-11(18)16-3-4-17-12(19)7-22-13(17)20/h1-2,5H,3-4,6-7H2,(H,16,18)
InChIKeyTYQBLOZZKBRERB-UHFFFAOYSA-N
MW379.29 g/mol
LogP2.90
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 2085853) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID2085853
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H12Cl2N2O3S2/c14-8-1-2-9(15)10(5-8)21-6-11(18)16-3-4-17-12(19)7-22-13(17)20/h1-2,5H,3-4,6-7H2,(H,16,18)
InChIKeyTYQBLOZZKBRERB-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 2085853) is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CSc1cc(Cl)ccc1Cl)NCCN1C(=O)CSC1=O.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is TYQBLOZZKBRERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c14-8-1-2-9(15)10(5-8)21-6-11(18)16-3-4-17-12(19)7-22-13(17)20/h1-2,5H,3-4,6-7H2,(H,16,18).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 379.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 2085853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).