3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole

C20H12N8S — CID 141195865

IUPAC3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole
SMILESc1ccc(-c2nc(-c3cccnn3)c(-c3ncccn3)nc2-c2ccsn2)nc1
InChIInChI=1S/C20H12N8S/c1-2-8-21-13(5-1)16-18(15-7-12-29-28-15)26-19(20-22-9-4-10-23-20)17(25-16)14-6-3-11-24-27-14/h1-12H
InChIKeyLYYQXGSAMYDBDM-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.58
Rot. Bonds4

About 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole

3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole (PubChem CID 141195865) has the molecular formula C20H12N8S and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole
PubChem CID141195865
Molecular FormulaC20H12N8S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole
SMILESc1ccc(-c2nc(-c3cccnn3)c(-c3ncccn3)nc2-c2ccsn2)nc1
InChIInChI=1S/C20H12N8S/c1-2-8-21-13(5-1)16-18(15-7-12-29-28-15)26-19(20-22-9-4-10-23-20)17(25-16)14-6-3-11-24-27-14/h1-12H
InChIKeyLYYQXGSAMYDBDM-UHFFFAOYSA-N
XLogP3.58
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
6,6'-Bis(1,2,4-triazin-3-yl)bipyridine
CID 57485918
1,5-Dimethyl-3-(trifluoromethyl)pyrazole;ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
CID 160082546
4,6-Bis{3-(2-pyridyl)-1h-pyrazol-1-yl}pyrimidine
CID 91436516
3-[6-(6-Pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine
CID 123260395
5-Pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine
CID 10914017
3-Pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine
CID 15426241
5-Thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 15440910
5-Pyridin-2-yl-3-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazine
CID 15866317
5-Pyridin-2-yl-3-[6-[6-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 15866318
5-Pyridin-2-yl-3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine
CID 15866321
3-Pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine
CID 19983587

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole?
The IUPAC name of 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole (CID 141195865) is 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole?
The canonical SMILES for 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole is c1ccc(-c2nc(-c3cccnn3)c(-c3ncccn3)nc2-c2ccsn2)nc1.
What is the InChIKey of 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole?
The InChIKey is LYYQXGSAMYDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S/c1-2-8-21-13(5-1)16-18(15-7-12-29-28-15)26-19(20-22-9-4-10-23-20)17(25-16)14-6-3-11-24-27-14/h1-12H.
What are the key properties of 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole?
3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole has a molecular weight of 396.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridazin-3-yl-3-pyridin-2-yl-6-pyrimidin-2-ylpyrazin-2-yl)-1,2-thiazole is sourced from PubChem (CID 141195865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).