(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

C23H22N4O3S — CID 52904226

About (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 52904226) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
• PubChem CID: 52904226
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
• SMILES: C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1csc(-c2ccccc2)n1
• InChI: InChI=1S/C23H22N4O3S/c1-16(14-27-21(28)10-9-19(26-27)20-8-5-13-30-20)22(29)24-12-11-18-15-31-23(25-18)17-6-3-2-4-7-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,24,29)/t16-/m1/s1
• InChIKey: NRHHGCHOSAJJBK-MRXNPFEDSA-N
• XLogP: 3.62
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?

The IUPAC name of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 52904226) is (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.

What is the SMILES notation for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?

The canonical SMILES for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1csc(-c2ccccc2)n1.

What is the InChIKey of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?

The InChIKey is NRHHGCHOSAJJBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16(14-27-21(28)10-9-19(26-27)20-8-5-13-30-20)22(29)24-12-11-18-15-31-23(25-18)17-6-3-2-4-7-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,24,29)/t16-/m1/s1.

What are the key properties of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?

(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 434.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 52904226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).