6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid

C11H10N4O2S — CID 54963902

IUPAC6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2nc3c(s2)CCC3)nn1
InChIInChI=1S/C11H10N4O2S/c16-10(17)7-4-5-9(15-14-7)13-11-12-6-2-1-3-8(6)18-11/h4-5H,1-3H2,(H,16,17)(H,12,13,15)
InChIKeyJXEPFJGAOTYKIR-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.86
Rot. Bonds3

About 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid

6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid (PubChem CID 54963902) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid
PubChem CID54963902
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2nc3c(s2)CCC3)nn1
InChIInChI=1S/C11H10N4O2S/c16-10(17)7-4-5-9(15-14-7)13-11-12-6-2-1-3-8(6)18-11/h4-5H,1-3H2,(H,16,17)(H,12,13,15)
InChIKeyJXEPFJGAOTYKIR-UHFFFAOYSA-N
XLogP1.86
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid (CID 54963902) is 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(Nc2nc3c(s2)CCC3)nn1.
What is the InChIKey of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid?
The InChIKey is JXEPFJGAOTYKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-10(17)7-4-5-9(15-14-7)13-11-12-6-2-1-3-8(6)18-11/h4-5H,1-3H2,(H,16,17)(H,12,13,15).
What are the key properties of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid?
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 54963902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).