2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide

C15H17N3O4S — CID 653843

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H17N3O4S/c19-13(9-18-14(20)10-23-15(18)21)16-11-3-1-2-4-12(11)17-5-7-22-8-6-17/h1-4H,5-10H2,(H,16,19)
InChIKeyUSTVRJKCSXUEOI-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.16
Rot. Bonds4

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 653843) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID653843
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H17N3O4S/c19-13(9-18-14(20)10-23-15(18)21)16-11-3-1-2-4-12(11)17-5-7-22-8-6-17/h1-4H,5-10H2,(H,16,19)
InChIKeyUSTVRJKCSXUEOI-UHFFFAOYSA-N
XLogP1.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide (CID 653843) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide is O=C(CN1C(=O)CSC1=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is USTVRJKCSXUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-13(9-18-14(20)10-23-15(18)21)16-11-3-1-2-4-12(11)17-5-7-22-8-6-17/h1-4H,5-10H2,(H,16,19).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 653843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).