1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide

C21H16FN5O2S — CID 31156957

About 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide (PubChem CID 31156957) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide
• PubChem CID: 31156957
• Molecular Formula: C21H16FN5O2S
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.10
• IUPAC Name: 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide
• SMILES: Cc1nc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)sc1-c1ccccn1
• InChI: InChI=1S/C21H16FN5O2S/c1-12-11-17(28)18(26-27(12)16-9-4-3-7-14(16)22)20(29)25-21-24-13(2)19(30-21)15-8-5-6-10-23-15/h3-11H,1-2H3,(H,24,25,29)
• InChIKey: LXAWLDTWGYGZOV-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide?

The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide (CID 31156957) is 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide.

What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide?

The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide is Cc1nc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)sc1-c1ccccn1.

What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide?

The InChIKey is LXAWLDTWGYGZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c1-12-11-17(28)18(26-27(12)16-9-4-3-7-14(16)22)20(29)25-21-24-13(2)19(30-21)15-8-5-6-10-23-15/h3-11H,1-2H3,(H,24,25,29).

What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide?

1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31156957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).