3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H9N3O4S — CID 43359284

IUPAC3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H9N3O4S/c13-7-2-1-5(10-11-7)8(14)12-4-17-3-6(12)9(15)16/h1-2,6H,3-4H2,(H,11,13)(H,15,16)
InChIKeyHEJZBKRNTFLVTJ-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.63
Rot. Bonds2

About 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359284) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359284
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H9N3O4S/c13-7-2-1-5(10-11-7)8(14)12-4-17-3-6(12)9(15)16/h1-2,6H,3-4H2,(H,11,13)(H,15,16)
InChIKeyHEJZBKRNTFLVTJ-UHFFFAOYSA-N
XLogP-0.63
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359284) is 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HEJZBKRNTFLVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c13-7-2-1-5(10-11-7)8(14)12-4-17-3-6(12)9(15)16/h1-2,6H,3-4H2,(H,11,13)(H,15,16).
What are the key properties of 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).