6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

C19H18FN5O2S — CID 71780374

About 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 71780374) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
• PubChem CID: 71780374
• Molecular Formula: C19H18FN5O2S
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.12
• IUPAC Name: 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
• SMILES: Cn1nc(C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)ccc1=O
• InChI: InChI=1S/C19H18FN5O2S/c1-24-16(26)9-8-15(23-24)19(27)25-10-4-5-12(11-25)17-21-22-18(28-17)13-6-2-3-7-14(13)20/h2-3,6-9,12H,4-5,10-11H2,1H3
• InChIKey: PBWDWILTPREICM-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 80.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?

The IUPAC name of 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 71780374) is 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

What is the SMILES notation for 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?

The canonical SMILES for 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)ccc1=O.

What is the InChIKey of 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?

The InChIKey is PBWDWILTPREICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c1-24-16(26)9-8-15(23-24)19(27)25-10-4-5-12(11-25)17-21-22-18(28-17)13-6-2-3-7-14(13)20/h2-3,6-9,12H,4-5,10-11H2,1H3.

What are the key properties of 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?

6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 399.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 71780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).