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

C11H12N4O2S — CID 114139063

IUPAC6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
SMILESCc1nc(CCNc2ccc(C(=O)O)nn2)cs1
InChIInChI=1S/C11H12N4O2S/c1-7-13-8(6-18-7)4-5-12-10-3-2-9(11(16)17)14-15-10/h2-3,6H,4-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyDDGWIKQWGUXMLT-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.59
Rot. Bonds5

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

6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid (PubChem CID 114139063) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
PubChem CID114139063
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
SMILESCc1nc(CCNc2ccc(C(=O)O)nn2)cs1
InChIInChI=1S/C11H12N4O2S/c1-7-13-8(6-18-7)4-5-12-10-3-2-9(11(16)17)14-15-10/h2-3,6H,4-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyDDGWIKQWGUXMLT-UHFFFAOYSA-N
XLogP1.59
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
CID 133348735
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114140022
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106034851
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106042806
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzoic acid
CID 106036131
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62174780

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid (CID 114139063) is 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid is Cc1nc(CCNc2ccc(C(=O)O)nn2)cs1.
What is the InChIKey of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is DDGWIKQWGUXMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-13-8(6-18-7)4-5-12-10-3-2-9(11(16)17)14-15-10/h2-3,6H,4-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid?
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 114139063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).