2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C119H161F2N25O21S5 — CID 172983592

About 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 172983592) has the molecular formula C119H161F2N25O21S5 and a molecular weight of 2476.08 g/mol. Its IUPAC name is 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
• PubChem CID: 172983592
• Molecular Formula: C119H161F2N25O21S5
• Molecular Weight: 2476.08 g/mol
• Exact Mass: 2474.09
• IUPAC Name: 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
• SMILES: CCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCC(F)(F)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc4c(c3)CC/C4=N\OCCO)S2(=O)=O)ccn1
• InChI: InChI=1S/C25H35N5O4S.2C24H33N5O4S.C23H29F2N5O4S.C23H31N5O5S/c1-4-34-28-23-8-5-19-17-21(6-7-22(19)23)33-16-11-25(2,3)10-13-29-14-15-30(35(29,31)32)20-9-12-27-24(26)18-20;2*1-3-33-27-23-7-4-19-16-21(5-6-22(19)23)32-15-10-18(2)9-12-28-13-14-29(34(28,30)31)20-8-11-26-24(25)17-20;1-2-34-28-21-6-3-17-15-19(4-5-20(17)21)33-14-9-23(24,25)8-11-29-12-13-30(35(29,31)32)18-7-10-27-22(26)16-18;24-23-17-19(8-9-25-23)28-12-11-27(34(28,30)31)10-2-1-3-14-32-20-5-6-21-18(16-20)4-7-22(21)26-33-15-13-29/h6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);2*5-6,8,11,16-18H,3-4,7,9-10,12-15H2,1-2H3,(H2,25,26);4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3,(H2,26,27);5-6,8-9,16-17,29H,1-4,7,10-15H2,(H2,24,25)/b28-23+;2*27-23+;28-21+;26-22+/t;2*18-;;/m.10../s1
• InChIKey: BGQBQQBJAVRMFD-DDVBQCDOSA-N
• XLogP: 15.18
• TPSA: 571.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 51
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.08
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The IUPAC name of 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 172983592) is 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

What is the SMILES notation for 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The canonical SMILES for 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is CCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCC(F)(F)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc4c(c3)CC/C4=N\OCCO)S2(=O)=O)ccn1.

What is the InChIKey of 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The InChIKey is BGQBQQBJAVRMFD-DDVBQCDOSA-N. The full InChI is InChI=1S/C25H35N5O4S.2C24H33N5O4S.C23H29F2N5O4S.C23H31N5O5S/c1-4-34-28-23-8-5-19-17-21(6-7-22(19)23)33-16-11-25(2,3)10-13-29-14-15-30(35(29,31)32)20-9-12-27-24(26)18-20;2*1-3-33-27-23-7-4-19-16-21(5-6-22(19)23)32-15-10-18(2)9-12-28-13-14-29(34(28,30)31)20-8-11-26-24(25)17-20;1-2-34-28-21-6-3-17-15-19(4-5-20(17)21)33-14-9-23(24,25)8-11-29-12-13-30(35(29,31)32)18-7-10-27-22(26)16-18;24-23-17-19(8-9-25-23)28-12-11-27(34(28,30)31)10-2-1-3-14-32-20-5-6-21-18(16-20)4-7-22(21)26-33-15-13-29/h6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);2*5-6,8,11,16-18H,3-4,7,9-10,12-15H2,1-2H3,(H2,25,26);4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3,(H2,26,27);5-6,8-9,16-17,29H,1-4,7,10-15H2,(H2,24,25)/b28-23+;2*27-23+;28-21+;26-22+/t;2*18-;;/m.10../s1.

What are the key properties of 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 2476.08 g/mol, XLogP of 15.18, 51 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydroinden-1-ylidene]amino]oxyethanol;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3,3-dimethylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 172983592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).