3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one

C18H24N4O3S — CID 129006642

About 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one

3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 129006642) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one
• PubChem CID: 129006642
• Molecular Formula: C18H24N4O3S
• Molecular Weight: 376.48 g/mol
• Exact Mass: 376.16
• IUPAC Name: 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one
• SMILES: O=C1CSCN1CC(=O)N1CCC(Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C18H24N4O3S/c23-16(11-22-13-26-12-17(22)24)21-9-5-14(10-21)25-15-4-3-6-19-18(15)20-7-1-2-8-20/h3-4,6,14H,1-2,5,7-13H2
• InChIKey: CWCUGXDNNAGNMC-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 65.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.48
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one?

The IUPAC name of 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 129006642) is 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one?

The canonical SMILES for 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1CCC(Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one?

The InChIKey is CWCUGXDNNAGNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-16(11-22-13-26-12-17(22)24)21-9-5-14(10-21)25-15-4-3-6-19-18(15)20-7-1-2-8-20/h3-4,6,14H,1-2,5,7-13H2.

What are the key properties of 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one?

3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 376.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 129006642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).