6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C16H20N4O2S — CID 95778986

About 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 95778986) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
• PubChem CID: 95778986
• Molecular Formula: C16H20N4O2S
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.13
• IUPAC Name: 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
• SMILES: Cc1csc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1
• InChI: InChI=1S/C16H20N4O2S/c1-11-5-6-14(21)20(18-11)9-15(22)19-7-3-4-13(8-19)16-17-12(2)10-23-16/h5-6,10,13H,3-4,7-9H2,1-2H3/t13-/m0/s1
• InChIKey: NLNDSOCLUDULHA-ZDUSSCGKSA-N
• XLogP: 1.72
• TPSA: 68.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?

The IUPAC name of 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 95778986) is 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

What is the SMILES notation for 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?

The canonical SMILES for 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1csc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1.

What is the InChIKey of 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?

The InChIKey is NLNDSOCLUDULHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-5-6-14(21)20(18-11)9-15(22)19-7-3-4-13(8-19)16-17-12(2)10-23-16/h5-6,10,13H,3-4,7-9H2,1-2H3/t13-/m0/s1.

What are the key properties of 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?

6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 332.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 95778986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).