1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H25N5O2S — CID 122654036

About 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654036) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
• PubChem CID: 122654036
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
• SMILES: Cc1cncc(-c2cccc(N3CC(N4CCN(C(=O)c5nccs5)CC4)CC3=O)c2)c1
• InChI: InChI=1S/C24H25N5O2S/c1-17-11-19(15-25-14-17)18-3-2-4-20(12-18)29-16-21(13-22(29)30)27-6-8-28(9-7-27)24(31)23-26-5-10-32-23/h2-5,10-12,14-15,21H,6-9,13,16H2,1H3
• InChIKey: ISAAUXPTHKGVCX-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 69.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

The IUPAC name of 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654036) is 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1cncc(-c2cccc(N3CC(N4CCN(C(=O)c5nccs5)CC4)CC3=O)c2)c1.

What is the InChIKey of 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

The InChIKey is ISAAUXPTHKGVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-17-11-19(15-25-14-17)18-3-2-4-20(12-18)29-16-21(13-22(29)30)27-6-8-28(9-7-27)24(31)23-26-5-10-32-23/h2-5,10-12,14-15,21H,6-9,13,16H2,1H3.

What are the key properties of 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 447.56 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).