6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C16H23N5O2S — CID 56798848

About 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 56798848) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

• Compound Name: 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
• PubChem CID: 56798848
• Molecular Formula: C16H23N5O2S
• Molecular Weight: 349.46 g/mol
• Exact Mass: 349.16
• IUPAC Name: 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
• SMILES: CCc1nc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cs1
• InChI: InChI=1S/C16H23N5O2S/c1-3-14-17-12(11-24-14)10-20-6-8-21(9-7-20)16(23)13-4-5-15(22)19(2)18-13/h11H,3-10H2,1-2H3
• InChIKey: OEWZEELWMRRAGY-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 69.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.46
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?

The IUPAC name of 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 56798848) is 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

What is the SMILES notation for 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?

The canonical SMILES for 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CCc1nc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cs1.

What is the InChIKey of 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?

The InChIKey is OEWZEELWMRRAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-14-17-12(11-24-14)10-20-6-8-21(9-7-20)16(23)13-4-5-15(22)19(2)18-13/h11H,3-10H2,1-2H3.

What are the key properties of 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?

6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 349.46 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 56798848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).