N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C10H10N4O4S — CID 47340179

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H10N4O4S/c15-7-2-1-6(12-13-7)9(17)11-3-4-14-8(16)5-19-10(14)18/h1-2H,3-5H2,(H,11,17)(H,13,15)
InChIKeyPORWFXWJVCDCML-UHFFFAOYSA-N
MW282.28 g/mol
LogP-0.80
Rot. Bonds4

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47340179) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47340179
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H10N4O4S/c15-7-2-1-6(12-13-7)9(17)11-3-4-14-8(16)5-19-10(14)18/h1-2H,3-5H2,(H,11,17)(H,13,15)
InChIKeyPORWFXWJVCDCML-UHFFFAOYSA-N
XLogP-0.80
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
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 N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 47340179) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCCN1C(=O)CSC1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PORWFXWJVCDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c15-7-2-1-6(12-13-7)9(17)11-3-4-14-8(16)5-19-10(14)18/h1-2H,3-5H2,(H,11,17)(H,13,15).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 282.28 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 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]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47340179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).