5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole

C16H13N5O2S2 — CID 118711393

IUPAC5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
SMILESCOc1ccc(OC)c(Sc2ccc3nnc(-c4cncs4)n3n2)c1
InChIInChI=1S/C16H13N5O2S2/c1-22-10-3-4-11(23-2)12(7-10)25-15-6-5-14-18-19-16(21(14)20-15)13-8-17-9-24-13/h3-9H,1-2H3
InChIKeyABIZBRXTCBQITR-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.42
Rot. Bonds5

About 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole

5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole (PubChem CID 118711393) has the molecular formula C16H13N5O2S2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
PubChem CID118711393
Molecular FormulaC16H13N5O2S2
Molecular Weight371.45 g/mol
Exact Mass371.05
IUPAC Name5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
SMILESCOc1ccc(OC)c(Sc2ccc3nnc(-c4cncs4)n3n2)c1
InChIInChI=1S/C16H13N5O2S2/c1-22-10-3-4-11(23-2)12(7-10)25-15-6-5-14-18-19-16(21(14)20-15)13-8-17-9-24-13/h3-9H,1-2H3
InChIKeyABIZBRXTCBQITR-UHFFFAOYSA-N
XLogP3.42
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole 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-[(2,5-Dimethoxyphenyl)sulfanyl]-3-(1-Methyl-1h-Pyrazol-4-Yl)[1,2,4]triazolo[4,3-B]pyridazine
CID 77068229
5-[6-(3-Methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71578930
5-[6-[3-(Trifluoromethoxy)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71578932
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711382
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711383
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711384
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711385
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711386
3-[6-(2,5-Dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-thiazole
CID 118711392
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711394
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711395
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 118711413

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole (CID 118711393) is 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole is COc1ccc(OC)c(Sc2ccc3nnc(-c4cncs4)n3n2)c1.
What is the InChIKey of 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is ABIZBRXTCBQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S2/c1-22-10-3-4-11(23-2)12(7-10)25-15-6-5-14-18-19-16(21(14)20-15)13-8-17-9-24-13/h3-9H,1-2H3.
What are the key properties of 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 371.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,5-dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 118711393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).