(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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

C130H178N28O24S6 — CID 172960327

About (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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

(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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 (PubChem CID 172960327) has the molecular formula C130H178N28O24S6 and a molecular weight of 2709.43 g/mol. Its IUPAC name is (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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.

Molecular Properties

• Compound Name: (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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
• PubChem CID: 172960327
• Molecular Formula: C130H178N28O24S6
• Molecular Weight: 2709.43 g/mol
• Exact Mass: 2707.19
• IUPAC Name: (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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
• SMILES: CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccncc3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)S2(=O)=O)cc1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21
• InChI: InChI=1S/C22H29N5O4S.2C22H31N5O4S.C22H30N4O4S.C21H29N5O4S.C21H28N4O4S/c1-30-25-21-8-5-17-15-19(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;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;1-2-31-25-18-19-7-9-21(10-8-19)30-16-6-4-3-5-13-26-14-15-27(32(26,28)29)20-11-12-24-22(23)17-20;1-3-30-24-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-25-15-16-26(31(25,27)28)21-8-12-23-13-9-21;1-2-30-24-17-18-6-8-20(9-7-18)29-15-5-3-4-12-25-13-14-26(31(25,27)28)19-10-11-23-21(22)16-19;1-2-29-23-18-19-6-8-21(9-7-19)28-17-5-3-4-14-24-15-16-25(30(24,26)27)20-10-12-22-13-11-20/h6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);7-12,17-18H,2-6,13-16H2,1H3,(H2,23,24);4-9,12-13,18-19H,3,10-11,14-17H2,1-2H3;6-11,16-17H,2-5,12-15H2,1H3,(H2,22,23);6-13,18H,2-5,14-17H2,1H3/b25-21+;25-17+;25-18+;24-18+;24-17+;23-18+
• InChIKey: FICAPKJQNNJEOH-FQDMPSETSA-N
• XLogP: 17.55
• TPSA: 610.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 65
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2709.43
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	4
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 (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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?

The IUPAC name of (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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 (CID 172960327) is (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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.

What is the SMILES notation for (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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?

The canonical SMILES for (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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 is CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccncc3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)S2(=O)=O)cc1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.

What is the InChIKey of (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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?

The InChIKey is FICAPKJQNNJEOH-FQDMPSETSA-N. The full InChI is InChI=1S/C22H29N5O4S.2C22H31N5O4S.C22H30N4O4S.C21H29N5O4S.C21H28N4O4S/c1-30-25-21-8-5-17-15-19(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;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;1-2-31-25-18-19-7-9-21(10-8-19)30-16-6-4-3-5-13-26-14-15-27(32(26,28)29)20-11-12-24-22(23)17-20;1-3-30-24-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-25-15-16-26(31(25,27)28)21-8-12-23-13-9-21;1-2-30-24-17-18-6-8-20(9-7-18)29-15-5-3-4-12-25-13-14-26(31(25,27)28)19-10-11-23-21(22)16-19;1-2-29-23-18-19-6-8-21(9-7-19)28-17-5-3-4-14-24-15-16-25(30(24,26)27)20-10-12-22-13-11-20/h6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);7-12,17-18H,2-6,13-16H2,1H3,(H2,23,24);4-9,12-13,18-19H,3,10-11,14-17H2,1-2H3;6-11,16-17H,2-5,12-15H2,1H3,(H2,22,23);6-13,18H,2-5,14-17H2,1H3/b25-21+;25-17+;25-18+;24-18+;24-17+;23-18+.

What are the key properties of (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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?

(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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 has a molecular weight of 2709.43 g/mol, XLogP of 17.55, 65 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)-3-methylpentoxy]phenyl]-N-ethoxymethanimine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-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 is sourced from PubChem (CID 172960327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).