N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C22H20N4O4S — CID 24525130

About N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 24525130) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
• PubChem CID: 24525130
• Molecular Formula: C22H20N4O4S
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.12
• IUPAC Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
• SMILES: Cc1nc(-c2ccc(CNC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)o2)cs1
• InChI: InChI=1S/C22H20N4O4S/c1-15-24-19(14-31-15)20-9-7-17(30-20)13-23-22(28)18-8-10-21(27)26(25-18)11-12-29-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,23,28)
• InChIKey: UJFUKLYJZSJZIK-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?

The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 24525130) is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?

The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)o2)cs1.

What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?

The InChIKey is UJFUKLYJZSJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-15-24-19(14-31-15)20-9-7-17(30-20)13-23-22(28)18-8-10-21(27)26(25-18)11-12-29-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,23,28).

What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 24525130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).