2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C18H16N6O3S2 — CID 12006092

IUPAC2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn23)cc1OC
InChIInChI=1S/C18H16N6O3S2/c1-26-12-4-3-11(9-13(12)27-2)17-22-21-14-5-6-16(23-24(14)17)29-10-15(25)20-18-19-7-8-28-18/h3-9H,10H2,1-2H3,(H,19,20,25)
InChIKeyIUCBALRJJAZKQE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.00
Rot. Bonds7

About 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 12006092) has the molecular formula C18H16N6O3S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID12006092
Molecular FormulaC18H16N6O3S2
Molecular Weight428.50 g/mol
Exact Mass428.07
IUPAC Name2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn23)cc1OC
InChIInChI=1S/C18H16N6O3S2/c1-26-12-4-3-11(9-13(12)27-2)17-22-21-14-5-6-16(23-24(14)17)29-10-15(25)20-18-19-7-8-28-18/h3-9H,10H2,1-2H3,(H,19,20,25)
InChIKeyIUCBALRJJAZKQE-UHFFFAOYSA-N
XLogP3.00
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7502637
N-(1,3-benzothiazol-2-yl)-2-{[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
CID 12005916
2-[5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-methyl-thiazol-2-yl)-acetamide
CID 644693
N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 984840
2-[4-(4-Methoxy-phenyl)-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 1373594
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-(1,3-benzodioxol-5-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2939359
2-{[4-benzyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylpropanamide
CID 2961150
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylpropanamide
CID 2961335
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[1-(4-methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-acetamide
CID 3193819
2-{[3-(3,4-Dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}acetamide
CID 3239045
1-(Azepan-1-yl)-2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone
CID 5310469

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 12006092) is 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn23)cc1OC.
What is the InChIKey of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IUCBALRJJAZKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S2/c1-26-12-4-3-11(9-13(12)27-2)17-22-21-14-5-6-16(23-24(14)17)29-10-15(25)20-18-19-7-8-28-18/h3-9H,10H2,1-2H3,(H,19,20,25).
What are the key properties of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 12006092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).