5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C23H22N4O6S — CID 42100022

About 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42100022) has the molecular formula C23H22N4O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

• Compound Name: 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
• PubChem CID: 42100022
• Molecular Formula: C23H22N4O6S
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.13
• IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
• SMILES: COc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC
• InChI: InChI=1S/C23H22N4O6S/c1-30-16-6-5-14(12-18(16)31-2)15(28)13-27-22(29)20-21(19(25-27)17-4-3-9-33-17)34-23(24-20)26-7-10-32-11-8-26/h3-6,9,12H,7-8,10-11,13H2,1-2H3
• InChIKey: NXZDCWKLRPQZIQ-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 108.92 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?

The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42100022) is 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?

The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC.

What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?

The InChIKey is NXZDCWKLRPQZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6S/c1-30-16-6-5-14(12-18(16)31-2)15(28)13-27-22(29)20-21(19(25-27)17-4-3-9-33-17)34-23(24-20)26-7-10-32-11-8-26/h3-6,9,12H,7-8,10-11,13H2,1-2H3.

What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?

5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 482.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42100022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).