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

C12H14N4O2S — CID 55027363

IUPACmethyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2nc(C)cs2)nn1
InChIInChI=1S/C12H14N4O2S/c1-8-7-19-11(14-8)5-6-13-10-4-3-9(15-16-10)12(17)18-2/h3-4,7H,5-6H2,1-2H3,(H,13,16)
InChIKeyWBRSERDKJYMZEI-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.68
Rot. Bonds5

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

methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate (PubChem CID 55027363) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
PubChem CID55027363
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Namemethyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2nc(C)cs2)nn1
InChIInChI=1S/C12H14N4O2S/c1-8-7-19-11(14-8)5-6-13-10-4-3-9(15-16-10)12(17)18-2/h3-4,7H,5-6H2,1-2H3,(H,13,16)
InChIKeyWBRSERDKJYMZEI-UHFFFAOYSA-N
XLogP1.68
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2,3-difluoro-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoate
CID 79834902
methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
CID 133348735
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate
CID 167873127
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
CID 114139063
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate (CID 55027363) is methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCCc2nc(C)cs2)nn1.
What is the InChIKey of methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate?
The InChIKey is WBRSERDKJYMZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-7-19-11(14-8)5-6-13-10-4-3-9(15-16-10)12(17)18-2/h3-4,7H,5-6H2,1-2H3,(H,13,16).
What are the key properties of methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate?
methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate has a molecular weight of 278.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 55027363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).