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

C11H12N4O2S — CID 54893549

IUPACmethyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2nc(C)cs2)nn1
InChIInChI=1S/C11H12N4O2S/c1-7-6-18-10(13-7)5-12-9-4-3-8(14-15-9)11(16)17-2/h3-4,6H,5H2,1-2H3,(H,12,15)
InChIKeyCJEIFUUPOIOOMY-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.64
Rot. Bonds4

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

methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate (PubChem CID 54893549) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate
PubChem CID54893549
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Namemethyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2nc(C)cs2)nn1
InChIInChI=1S/C11H12N4O2S/c1-7-6-18-10(13-7)5-12-9-4-3-8(14-15-9)11(16)17-2/h3-4,6H,5H2,1-2H3,(H,12,15)
InChIKeyCJEIFUUPOIOOMY-UHFFFAOYSA-N
XLogP1.64
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate (CID 54893549) is methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCc2nc(C)cs2)nn1.
What is the InChIKey of methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate?
The InChIKey is CJEIFUUPOIOOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-6-18-10(13-7)5-12-9-4-3-8(14-15-9)11(16)17-2/h3-4,6H,5H2,1-2H3,(H,12,15).
What are the key properties of methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 54893549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).