4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C109H144N32O18S5 — CID 172918493

About 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 172918493) has the molecular formula C109H144N32O18S5 and a molecular weight of 2350.89 g/mol. Its IUPAC name is 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
• PubChem CID: 172918493
• Molecular Formula: C109H144N32O18S5
• Molecular Weight: 2350.89 g/mol
• Exact Mass: 2348.99
• IUPAC Name: 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
• SMILES: CC(C)O/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CC(C)n1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cc1nc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)no1.Cn1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1
• InChI: InChI=1S/C24H33N5O4S.C22H30N8O3S.C22H29N5O4S.C21H26N6O4S.C20H26N8O3S/c1-18(2)33-27-23-9-6-19-16-21(7-8-22(19)23)32-15-5-3-4-12-28-13-14-29(34(28,30)31)20-10-11-26-24(25)17-20;1-17(2)30-26-22(25-27-30)18-6-8-20(9-7-18)33-15-5-3-4-12-28-13-14-29(34(28,31)32)19-10-11-24-21(23)16-19;1-30-25-21-8-5-17-15-19(6-7-20(17)21)31-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-24-22(23)16-18;1-16-24-21(25-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-23-20(22)15-18;1-26-24-20(23-25-26)16-5-7-18(8-6-16)31-14-4-2-3-11-27-12-13-28(32(27,29)30)17-9-10-22-19(21)15-17/h7-8,10-11,16-18H,3-6,9,12-15H2,1-2H3,(H2,25,26);6-11,16-17H,3-5,12-15H2,1-2H3,(H2,23,24);6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,22,23);5-10,15H,2-4,11-14H2,1H3,(H2,21,22)/b27-23+;;25-21+
• InChIKey: BXAPKNIWWOSZNT-NZUMBJJFSA-N
• XLogP: 12.55
• TPSA: 613.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2350.89
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

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 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The IUPAC name of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 172918493) is 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

What is the SMILES notation for 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The canonical SMILES for 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is CC(C)O/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CC(C)n1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cc1nc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)no1.Cn1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.

What is the InChIKey of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

The InChIKey is BXAPKNIWWOSZNT-NZUMBJJFSA-N. The full InChI is InChI=1S/C24H33N5O4S.C22H30N8O3S.C22H29N5O4S.C21H26N6O4S.C20H26N8O3S/c1-18(2)33-27-23-9-6-19-16-21(7-8-22(19)23)32-15-5-3-4-12-28-13-14-29(34(28,30)31)20-10-11-26-24(25)17-20;1-17(2)30-26-22(25-27-30)18-6-8-20(9-7-18)33-15-5-3-4-12-28-13-14-29(34(28,31)32)19-10-11-24-21(23)16-19;1-30-25-21-8-5-17-15-19(6-7-20(17)21)31-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-24-22(23)16-18;1-16-24-21(25-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-23-20(22)15-18;1-26-24-20(23-25-26)16-5-7-18(8-6-16)31-14-4-2-3-11-27-12-13-28(32(27,29)30)17-9-10-22-19(21)15-17/h7-8,10-11,16-18H,3-6,9,12-15H2,1-2H3,(H2,25,26);6-11,16-17H,3-5,12-15H2,1-2H3,(H2,23,24);6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,22,23);5-10,15H,2-4,11-14H2,1H3,(H2,21,22)/b27-23+;;25-21+;;.

What are the key properties of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?

4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 2350.89 g/mol, XLogP of 12.55, 47 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-yl)phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 172918493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).