N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C21H26N6O3S — CID 55718596

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55718596) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 55718596
• Molecular Formula: C21H26N6O3S
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.18
• IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
• SMILES: O=C(CN1CCC(NC(=O)Cc2csc(N3CCNC3=O)n2)CC1)Nc1ccccc1
• InChI: InChI=1S/C21H26N6O3S/c28-18(12-17-14-31-21(25-17)27-11-8-22-20(27)30)23-16-6-9-26(10-7-16)13-19(29)24-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,22,30)(H,23,28)(H,24,29)
• InChIKey: LSKFSZSOIXCTIN-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 106.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55718596) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is O=C(CN1CCC(NC(=O)Cc2csc(N3CCNC3=O)n2)CC1)Nc1ccccc1.

What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is LSKFSZSOIXCTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c28-18(12-17-14-31-21(25-17)27-11-8-22-20(27)30)23-16-6-9-26(10-7-16)13-19(29)24-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,22,30)(H,23,28)(H,24,29).

What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 442.55 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55718596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).