N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate

C94H178N18O28S4 — CID 161383427

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate (PubChem CID 161383427) has the molecular formula C94H178N18O28S4 and a molecular weight of 2136.82 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
• PubChem CID: 161383427
• Molecular Formula: C94H178N18O28S4
• Molecular Weight: 2136.82 g/mol
• Exact Mass: 2135.19
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
• SMILES: CC1NC(=O)NC1CCCCCC(=O)NCCCOCCOCCOCCCN.NCCCOCCOCCOCCCNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O.NCCCOCCOCCOCCCNC(=O)CCCCC1SCC2NC(=O)NC21.NCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.O=C1NC2CSC(CCCCC(=O)OCCOCCOCCOCCO)C2N1
• InChI: InChI=1S/C20H38N4O7S.C20H38N4O5S.C20H40N4O5.C18H32N2O7S.C16H30N4O4S/c21-7-3-9-29-11-13-31-14-12-30-10-4-8-22-18(25)6-2-1-5-17-19-16(15-32(17,27)28)23-20(26)24-19;21-7-3-9-27-11-13-29-14-12-28-10-4-8-22-18(25)6-2-1-5-17-19-16(15-30-17)23-20(26)24-19;1-17-18(24-20(26)23-17)7-3-2-4-8-19(25)22-10-6-12-28-14-16-29-15-13-27-11-5-9-21;21-5-6-24-7-8-25-9-10-26-11-12-27-16(22)4-2-1-3-15-17-14(13-28-15)19-18(23)20-17;17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26);16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26);17-18H,2-16,21H2,1H3,(H,22,25)(H2,23,24,26);14-15,17,21H,1-13H2,(H2,19,20,23);12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22)
• InChIKey: VSAFTUBQKRWDQJ-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 636.02 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 35
• Rotatable Bonds: 84
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.82
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate (CID 161383427) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate is CC1NC(=O)NC1CCCCCC(=O)NCCCOCCOCCOCCCN.NCCCOCCOCCOCCCNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O.NCCCOCCOCCOCCCNC(=O)CCCCC1SCC2NC(=O)NC21.NCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.O=C1NC2CSC(CCCCC(=O)OCCOCCOCCOCCO)C2N1.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate?

The InChIKey is VSAFTUBQKRWDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O7S.C20H38N4O5S.C20H40N4O5.C18H32N2O7S.C16H30N4O4S/c21-7-3-9-29-11-13-31-14-12-30-10-4-8-22-18(25)6-2-1-5-17-19-16(15-32(17,27)28)23-20(26)24-19;21-7-3-9-27-11-13-29-14-12-28-10-4-8-22-18(25)6-2-1-5-17-19-16(15-30-17)23-20(26)24-19;1-17-18(24-20(26)23-17)7-3-2-4-8-19(25)22-10-6-12-28-14-16-29-15-13-27-11-5-9-21;21-5-6-24-7-8-25-9-10-26-11-12-27-16(22)4-2-1-3-15-17-14(13-28-15)19-18(23)20-17;17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26);16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26);17-18H,2-16,21H2,1H3,(H,22,25)(H2,23,24,26);14-15,17,21H,1-13H2,(H2,19,20,23);12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22).

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate has a molecular weight of 2136.82 g/mol, XLogP of 0.95, 84 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate is sourced from PubChem (CID 161383427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).