1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C21H19N7OS — CID 122347643

About 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347643) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122347643
• Molecular Formula: C21H19N7OS
• Molecular Weight: 417.50 g/mol
• Exact Mass: 417.14
• IUPAC Name: 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: O=C(c1nc2ccccc2s1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
• InChI: InChI=1S/C21H19N7OS/c29-21(20-24-16-5-1-2-6-17(16)30-20)28-12-10-27(11-13-28)19-8-7-18(25-26-19)23-15-4-3-9-22-14-15/h1-9,14H,10-13H2,(H,23,25)
• InChIKey: OLRZPUKGWDEZMZ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 87.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347643) is 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.

What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is OLRZPUKGWDEZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c29-21(20-24-16-5-1-2-6-17(16)30-20)28-12-10-27(11-13-28)19-8-7-18(25-26-19)23-15-4-3-9-22-14-15/h1-9,14H,10-13H2,(H,23,25).

What are the key properties of 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 417.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).