2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

C23H37N5O2S — CID 86897087

About 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86897087) has the molecular formula C23H37N5O2S and a molecular weight of 447.65 g/mol. Its IUPAC name is 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 86897087
• Molecular Formula: C23H37N5O2S
• Molecular Weight: 447.65 g/mol
• Exact Mass: 447.27
• IUPAC Name: 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CCN1CCN(C2CCN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)C2)CC1
• InChI: InChI=1S/C23H37N5O2S/c1-2-26-11-13-27(14-12-26)19-6-10-28(18-19)21(30)17-23(7-4-3-5-8-23)16-20(29)25-22-24-9-15-31-22/h9,15,19H,2-8,10-14,16-18H2,1H3,(H,24,25,29)
• InChIKey: LVUIMJISOZZPFK-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 68.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.65
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86897087) is 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is CCN1CCN(C2CCN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)C2)CC1.

What is the InChIKey of 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is LVUIMJISOZZPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2S/c1-2-26-11-13-27(14-12-26)19-6-10-28(18-19)21(30)17-23(7-4-3-5-8-23)16-20(29)25-22-24-9-15-31-22/h9,15,19H,2-8,10-14,16-18H2,1H3,(H,24,25,29).

What are the key properties of 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 447.65 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86897087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).