6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid

C11H12N4O2S — CID 54953806

IUPAC6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
SMILESCCc1nc(Nc2ccc(C(=O)O)nn2)sc1C
InChIInChI=1S/C11H12N4O2S/c1-3-7-6(2)18-11(12-7)13-9-5-4-8(10(16)17)14-15-9/h4-5H,3H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyQTVBDWVUJMMFMY-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.25
Rot. Bonds4

About 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid

6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid (PubChem CID 54953806) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
PubChem CID54953806
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
SMILESCCc1nc(Nc2ccc(C(=O)O)nn2)sc1C
InChIInChI=1S/C11H12N4O2S/c1-3-7-6(2)18-11(12-7)13-9-5-4-8(10(16)17)14-15-9/h4-5H,3H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyQTVBDWVUJMMFMY-UHFFFAOYSA-N
XLogP2.25
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid (CID 54953806) is 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid is CCc1nc(Nc2ccc(C(=O)O)nn2)sc1C.
What is the InChIKey of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
The InChIKey is QTVBDWVUJMMFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-3-7-6(2)18-11(12-7)13-9-5-4-8(10(16)17)14-15-9/h4-5H,3H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid?
6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54953806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).