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

C17H13FN6O2S — CID 108772363

IUPACethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)nn1
InChIInChI=1S/C17H13FN6O2S/c1-2-26-15(25)12-7-8-14(22-21-12)19-16-20-17-24(23-16)13(9-27-17)10-3-5-11(18)6-4-10/h3-9H,2H2,1H3,(H,19,22,23)
InChIKeyANCKACQGSFNJME-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.31
Rot. Bonds5

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

ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate (PubChem CID 108772363) has the molecular formula C17H13FN6O2S and a molecular weight of 384.40 g/mol. Its IUPAC name is ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
PubChem CID108772363
Molecular FormulaC17H13FN6O2S
Molecular Weight384.40 g/mol
Exact Mass384.08
IUPAC Nameethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)nn1
InChIInChI=1S/C17H13FN6O2S/c1-2-26-15(25)12-7-8-14(22-21-12)19-16-20-17-24(23-16)13(9-27-17)10-3-5-11(18)6-4-10/h3-9H,2H2,1H3,(H,19,22,23)
InChIKeyANCKACQGSFNJME-UHFFFAOYSA-N
XLogP3.31
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 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

ethyl 2-[5-amino-3-(4-fluorophenyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1498330
Ethyl 5-(cyclohexanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 59001285
Ethyl 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylate
CID 59001289
ethyl 2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 156196491
Ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 176551202
[2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 56474550
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 56474934
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
Methyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
CID 108772364
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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate (CID 108772363) is ethyl 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 ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate is CCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)nn1.
What is the InChIKey of ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The InChIKey is ANCKACQGSFNJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2S/c1-2-26-15(25)12-7-8-14(22-21-12)19-16-20-17-24(23-16)13(9-27-17)10-3-5-11(18)6-4-10/h3-9H,2H2,1H3,(H,19,22,23).
What are the key properties of ethyl 6-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
ethyl 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 384.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 108772363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).