1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C21H25N5O4S2 — CID 55729633

About 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 55729633) has the molecular formula C21H25N5O4S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
• PubChem CID: 55729633
• Molecular Formula: C21H25N5O4S2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.13
• IUPAC Name: 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
• SMILES: O=C1NCCN1c1nc(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cs1
• InChI: InChI=1S/C21H25N5O4S2/c27-19(13-16-14-31-21(23-16)26-11-7-22-20(26)28)25-10-6-15-12-17(4-5-18(15)25)32(29,30)24-8-2-1-3-9-24/h4-5,12,14H,1-3,6-11,13H2,(H,22,28)
• InChIKey: CEKPORDSFWGHMS-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 102.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

The IUPAC name of 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 55729633) is 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

What is the SMILES notation for 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

The canonical SMILES for 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one is O=C1NCCN1c1nc(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cs1.

What is the InChIKey of 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

The InChIKey is CEKPORDSFWGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S2/c27-19(13-16-14-31-21(23-16)26-11-7-22-20(26)28)25-10-6-15-12-17(4-5-18(15)25)32(29,30)24-8-2-1-3-9-24/h4-5,12,14H,1-3,6-11,13H2,(H,22,28).

What are the key properties of 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 475.60 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 55729633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).