(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide

C23H19N5O3S — CID 52904235

About (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide

(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide (PubChem CID 52904235) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide.

Molecular Properties

• Compound Name: (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
• PubChem CID: 52904235
• Molecular Formula: C23H19N5O3S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.12
• IUPAC Name: (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
• SMILES: C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
• InChI: InChI=1S/C23H19N5O3S/c1-15(13-28-21(29)9-8-18(26-28)20-3-2-11-31-20)22(30)24-17-6-4-16(5-7-17)19-14-27-10-12-32-23(27)25-19/h2-12,14-15H,13H2,1H3,(H,24,30)/t15-/m0/s1
• InChIKey: HRFUAHQCAKEWPY-HNNXBMFYSA-N
• XLogP: 4.15
• TPSA: 94.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide?

The IUPAC name of (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide (CID 52904235) is (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide.

What is the SMILES notation for (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide?

The canonical SMILES for (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide is C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.

What is the InChIKey of (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide?

The InChIKey is HRFUAHQCAKEWPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-15(13-28-21(29)9-8-18(26-28)20-3-2-11-31-20)22(30)24-17-6-4-16(5-7-17)19-14-27-10-12-32-23(27)25-19/h2-12,14-15H,13H2,1H3,(H,24,30)/t15-/m0/s1.

What are the key properties of (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide?

(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide has a molecular weight of 445.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 52904235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).