N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide

C11H15N3O5S — CID 108509775

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(NCCN1C(=O)CSC1=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H15N3O5S/c15-8-7-20-11(18)14(8)2-1-12-9(16)10(17)13-3-5-19-6-4-13/h1-7H2,(H,12,16)
InChIKeySXDKUAPTCKBVTI-UHFFFAOYSA-N
MW301.32 g/mol
LogP-1.34
Rot. Bonds3

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 108509775) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID108509775
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(NCCN1C(=O)CSC1=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H15N3O5S/c15-8-7-20-11(18)14(8)2-1-12-9(16)10(17)13-3-5-19-6-4-13/h1-7H2,(H,12,16)
InChIKeySXDKUAPTCKBVTI-UHFFFAOYSA-N
XLogP-1.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 22689011
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913360
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-prop-2-enyloxamide
CID 108526467
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519241
N'-butan-2-yl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108505526
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]prop-2-ynamide
CID 130774842
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-oxoacetamide
CID 108522630
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526310
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide
CID 108516871

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide (CID 108509775) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide is O=C(NCCN1C(=O)CSC1=O)C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is SXDKUAPTCKBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c15-8-7-20-11(18)14(8)2-1-12-9(16)10(17)13-3-5-19-6-4-13/h1-7H2,(H,12,16).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 301.32 g/mol, XLogP of -1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 108509775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).