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

C17H14N6O3S — CID 108772596

IUPACmethyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(OC)cc4)n3n2)nn1
InChIInChI=1S/C17H14N6O3S/c1-25-11-5-3-10(4-6-11)13-9-27-17-19-16(22-23(13)17)18-14-8-7-12(20-21-14)15(24)26-2/h3-9H,1-2H3,(H,18,21,22)
InChIKeyCXNOGOSKBUQHTD-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.79
Rot. Bonds5

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

methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate (PubChem CID 108772596) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
PubChem CID108772596
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC Namemethyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc3scc(-c4ccc(OC)cc4)n3n2)nn1
InChIInChI=1S/C17H14N6O3S/c1-25-11-5-3-10(4-6-11)13-9-27-17-19-16(22-23(13)17)18-14-8-7-12(20-21-14)15(24)26-2/h3-9H,1-2H3,(H,18,21,22)
InChIKeyCXNOGOSKBUQHTD-UHFFFAOYSA-N
XLogP2.79
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772445
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108776575
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772361
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752831
ethyl 2-(4-methoxyphenyl)-4-[[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772302
N-[4-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]phenyl]acetamide
CID 108772640
1-ethyl-3-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiourea
CID 108780813
2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780802
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate (CID 108772596) is methyl 6-[[6-(4-methoxyphenyl)-[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-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2nc3scc(-c4ccc(OC)cc4)n3n2)nn1.
What is the InChIKey of methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
The InChIKey is CXNOGOSKBUQHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c1-25-11-5-3-10(4-6-11)13-9-27-17-19-16(22-23(13)17)18-14-8-7-12(20-21-14)15(24)26-2/h3-9H,1-2H3,(H,18,21,22).
What are the key properties of methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate?
methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate has a molecular weight of 382.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 108772596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).