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

C12H13N3O4S — CID 63780216

IUPAC2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H13N3O4S/c16-9-4-3-7(13-14-9)10(17)15-8(12(18)19)5-20-11(15)6-1-2-6/h3-4,6,8,11H,1-2,5H2,(H,14,16)(H,18,19)
InChIKeyRHXLKNPNOMTUOM-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.15
Rot. Bonds3

About 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780216) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780216
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H13N3O4S/c16-9-4-3-7(13-14-9)10(17)15-8(12(18)19)5-20-11(15)6-1-2-6/h3-4,6,8,11H,1-2,5H2,(H,14,16)(H,18,19)
InChIKeyRHXLKNPNOMTUOM-UHFFFAOYSA-N
XLogP0.15
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780216) is 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RHXLKNPNOMTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-9-4-3-7(13-14-9)10(17)15-8(12(18)19)5-20-11(15)6-1-2-6/h3-4,6,8,11H,1-2,5H2,(H,14,16)(H,18,19).
What are the key properties of 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).