5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one

C22H22N4O3S — CID 91204237

About 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one

5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one (PubChem CID 91204237) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one
• PubChem CID: 91204237
• Molecular Formula: C22H22N4O3S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.14
• IUPAC Name: 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one
• SMILES: CN(C)c1nnc(Oc2ccc3c(c2)CCC3C2SC(O)NC2=O)c2ccccc12
• InChI: InChI=1S/C22H22N4O3S/c1-26(2)19-16-5-3-4-6-17(16)21(25-24-19)29-13-8-10-14-12(11-13)7-9-15(14)18-20(27)23-22(28)30-18/h3-6,8,10-11,15,18,22,28H,7,9H2,1-2H3,(H,23,27)
• InChIKey: RARDZCHCVADICV-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 87.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one?

The IUPAC name of 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one (CID 91204237) is 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one is CN(C)c1nnc(Oc2ccc3c(c2)CCC3C2SC(O)NC2=O)c2ccccc12.

What is the InChIKey of 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one?

The InChIKey is RARDZCHCVADICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-26(2)19-16-5-3-4-6-17(16)21(25-24-19)29-13-8-10-14-12(11-13)7-9-15(14)18-20(27)23-22(28)30-18/h3-6,8,10-11,15,18,22,28H,7,9H2,1-2H3,(H,23,27).

What are the key properties of 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one?

5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one has a molecular weight of 422.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-(dimethylamino)phthalazin-1-yl]oxy-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-thiazolidin-4-one is sourced from PubChem (CID 91204237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).