methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate

C16H11FN6O2S — CID 108772364

IUPACmethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)nn1
InChIInChI=1S/C16H11FN6O2S/c1-25-14(24)11-6-7-13(21-20-11)18-15-19-16-23(22-15)12(8-26-16)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,21,22)
InChIKeyZJGUXERNXNWSSX-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.92
Rot. Bonds4

About methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate

methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate (PubChem CID 108772364) has the molecular formula C16H11FN6O2S and a molecular weight of 370.37 g/mol. Its IUPAC name is methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
PubChem CID108772364
Molecular FormulaC16H11FN6O2S
Molecular Weight370.37 g/mol
Exact Mass370.06
IUPAC Namemethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)nn1
InChIInChI=1S/C16H11FN6O2S/c1-25-14(24)11-6-7-13(21-20-11)18-15-19-16-23(22-15)12(8-26-16)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,21,22)
InChIKeyZJGUXERNXNWSSX-UHFFFAOYSA-N
XLogP2.92
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate with MolForge

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Related Compounds

methyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazole-5-carboxylate
CID 1490057
Methyl 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-1-phenylpyrazole-3-carboxylate
CID 60242888
methyl 4-[(E)-3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-3-oxoprop-1-enyl]benzoate
CID 108728258
Methyl 3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]benzoate
CID 108728393
Ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
CID 108772363
Ethyl 6-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyridazine-3-carboxylate
CID 108775971
Methyl 6-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyridazine-3-carboxylate
CID 108775972
Ethyl 5-(prop-1-en-2-ylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 149190766
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 56422241
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 56422630
[2-[[4-(4-Methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 56475068
Methyl 3-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamoyl]benzoate
CID 108727923

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate (CID 108772364) is methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)nn1.
What is the InChIKey of methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The InChIKey is ZJGUXERNXNWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O2S/c1-25-14(24)11-6-7-13(21-20-11)18-15-19-16-23(22-15)12(8-26-16)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,21,22).
What are the key properties of methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate has a molecular weight of 370.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 108772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).