2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

C19H28N2O2S — CID 23988752

About 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 23988752) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
• PubChem CID: 23988752
• Molecular Formula: C19H28N2O2S
• Molecular Weight: 348.51 g/mol
• Exact Mass: 348.19
• IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
• SMILES: CC(C)(C)Oc1ccc(C2SCC(=O)N2CCN2CCCC2)cc1
• InChI: InChI=1S/C19H28N2O2S/c1-19(2,3)23-16-8-6-15(7-9-16)18-21(17(22)14-24-18)13-12-20-10-4-5-11-20/h6-9,18H,4-5,10-14H2,1-3H3
• InChIKey: SNGJQBSMKBCZAV-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.51
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?

The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 23988752) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is CC(C)(C)Oc1ccc(C2SCC(=O)N2CCN2CCCC2)cc1.

What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?

The InChIKey is SNGJQBSMKBCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-19(2,3)23-16-8-6-15(7-9-16)18-21(17(22)14-24-18)13-12-20-10-4-5-11-20/h6-9,18H,4-5,10-14H2,1-3H3.

What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 348.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).