2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one

C9H11N3O2S — CID 122332136

IUPAC2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCSC1
InChIInChI=1S/C9H11N3O2S/c13-8-2-1-3-10-12(8)6-9(14)11-4-5-15-7-11/h1-3H,4-7H2
InChIKeyUXYZFCUEXZAREN-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.22
Rot. Bonds2

About 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one

2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one (PubChem CID 122332136) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one
PubChem CID122332136
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCSC1
InChIInChI=1S/C9H11N3O2S/c13-8-2-1-3-10-12(8)6-9(14)11-4-5-15-7-11/h1-3H,4-7H2
InChIKeyUXYZFCUEXZAREN-UHFFFAOYSA-N
XLogP-0.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one (CID 122332136) is 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CCSC1.
What is the InChIKey of 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one?
The InChIKey is UXYZFCUEXZAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-8-2-1-3-10-12(8)6-9(14)11-4-5-15-7-11/h1-3H,4-7H2.
What are the key properties of 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one?
2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one has a molecular weight of 225.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 122332136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).