3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C17H20N6O3S — CID 72842570

About 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 72842570) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 72842570
• Molecular Formula: C17H20N6O3S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.13
• IUPAC Name: 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: O=C(CN1C(=O)CNC1=O)N1CCCC(c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C17H20N6O3S/c24-14-6-19-17(26)23(14)9-15(25)21-4-1-2-12(7-21)16-18-3-5-22(16)8-13-10-27-11-20-13/h3,5,10-12H,1-2,4,6-9H2,(H,19,26)
• InChIKey: KUPYHBXLMYBPMX-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 72842570) is 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCCC(c2nccn2Cc2cscn2)C1.

What is the InChIKey of 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is KUPYHBXLMYBPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c24-14-6-19-17(26)23(14)9-15(25)21-4-1-2-12(7-21)16-18-3-5-22(16)8-13-10-27-11-20-13/h3,5,10-12H,1-2,4,6-9H2,(H,19,26).

What are the key properties of 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 388.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72842570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).