2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C18H20N6OS — CID 126863543

About 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863543) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
• PubChem CID: 126863543
• Molecular Formula: C18H20N6OS
• Molecular Weight: 368.47 g/mol
• Exact Mass: 368.14
• IUPAC Name: 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
• SMILES: Cc1nnc(N2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)s1
• InChI: InChI=1S/C18H20N6OS/c1-13-20-21-18(26-13)23-10-6-14(7-11-23)12-24-17(25)3-2-16(22-24)15-4-8-19-9-5-15/h2-5,8-9,14H,6-7,10-12H2,1H3
• InChIKey: AONSDXYRODXPHM-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 76.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

The IUPAC name of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863543) is 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

What is the SMILES notation for 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

The canonical SMILES for 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cc1nnc(N2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)s1.

What is the InChIKey of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

The InChIKey is AONSDXYRODXPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-20-21-18(26-13)23-10-6-14(7-11-23)12-24-17(25)3-2-16(22-24)15-4-8-19-9-5-15/h2-5,8-9,14H,6-7,10-12H2,1H3.

What are the key properties of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 368.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).