3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C21H15FN4O4S — CID 86873572

About 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 86873572) has the molecular formula C21H15FN4O4S and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 86873572
• Molecular Formula: C21H15FN4O4S
• Molecular Weight: 438.44 g/mol
• Exact Mass: 438.08
• IUPAC Name: 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)c2cccc(-n3[nH]c(=O)ccc3=O)c2)n1
• InChI: InChI=1S/C21H15FN4O4S/c1-30-17-6-5-13(22)10-15(17)16-11-31-21(23-16)24-20(29)12-3-2-4-14(9-12)26-19(28)8-7-18(27)25-26/h2-11H,1H3,(H,25,27)(H,23,24,29)
• InChIKey: RPYZHJFJIJCOEV-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.44
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 86873572) is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(F)cc1-c1csc(NC(=O)c2cccc(-n3[nH]c(=O)ccc3=O)c2)n1.

What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is RPYZHJFJIJCOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4S/c1-30-17-6-5-13(22)10-15(17)16-11-31-21(23-16)24-20(29)12-3-2-4-14(9-12)26-19(28)8-7-18(27)25-26/h2-11H,1H3,(H,25,27)(H,23,24,29).

What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 86873572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).