N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide

C9H10N6O4S — CID 108519241

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NCCN1C(=O)CSC1=O)C(=O)Nn1cnnc1
InChIInChI=1S/C9H10N6O4S/c16-6-3-20-9(19)15(6)2-1-10-7(17)8(18)13-14-4-11-12-5-14/h4-5H,1-3H2,(H,10,17)(H,13,18)
InChIKeyQWXAESDBMMXHAI-UHFFFAOYSA-N
MW298.28 g/mol
LogP-1.84
Rot. Bonds4

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108519241) has the molecular formula C9H10N6O4S and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108519241
Molecular FormulaC9H10N6O4S
Molecular Weight298.28 g/mol
Exact Mass298.05
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NCCN1C(=O)CSC1=O)C(=O)Nn1cnnc1
InChIInChI=1S/C9H10N6O4S/c16-6-3-20-9(19)15(6)2-1-10-7(17)8(18)13-14-4-11-12-5-14/h4-5H,1-3H2,(H,10,17)(H,13,18)
InChIKeyQWXAESDBMMXHAI-UHFFFAOYSA-N
XLogP-1.84
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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'-(4-fluorophenyl)oxamide
CID 108512666
N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
N'-butan-2-yl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108505526
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509775
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
N'-[4-(diethylamino)phenyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108530630
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'-(4-ethylphenyl)oxamide
CID 108522361
N'-[(2-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108506190
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108524156

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide (CID 108519241) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide is O=C(NCCN1C(=O)CSC1=O)C(=O)Nn1cnnc1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is QWXAESDBMMXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4S/c16-6-3-20-9(19)15(6)2-1-10-7(17)8(18)13-14-4-11-12-5-14/h4-5H,1-3H2,(H,10,17)(H,13,18).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 298.28 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108519241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).