(E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine

C111H153N25O21S5 — CID 172942705

About (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine

(E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine (PubChem CID 172942705) has the molecular formula C111H153N25O21S5 and a molecular weight of 2333.93 g/mol. Its IUPAC name is (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine.

Molecular Properties

• Compound Name: (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine
• PubChem CID: 172942705
• Molecular Formula: C111H153N25O21S5
• Molecular Weight: 2333.93 g/mol
• Exact Mass: 2332.03
• IUPAC Name: (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine
• SMILES: CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N(C)C)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N4CCC4)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCOCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C1\CCCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21
• InChI: InChI=1S/2C24H33N5O4S.C23H33N5O4S.C20H27N5O5S.C20H27N5O4S/c1-2-33-26-20-21-7-9-23(10-8-21)32-18-5-3-4-15-28-16-17-29(34(28,30)31)22-11-12-25-24(19-22)27-13-6-14-27;1-2-33-27-23-8-6-7-19-17-21(9-10-22(19)23)32-16-5-3-4-13-28-14-15-29(34(28,30)31)20-11-12-26-24(25)18-20;1-4-32-25-19-20-8-10-22(11-9-20)31-17-7-5-6-14-27-15-16-28(33(27,29)30)21-12-13-24-23(18-21)26(2)3;1-2-30-23-16-17-3-5-19(6-4-17)29-14-13-28-12-11-24-9-10-25(31(24,26)27)18-7-8-22-20(21)15-18;1-2-29-23-16-17-5-7-19(8-6-17)28-14-4-3-11-24-12-13-25(30(24,26)27)18-9-10-22-20(21)15-18/h7-12,19-20H,2-6,13-18H2,1H3;9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26);8-13,18-19H,4-7,14-17H2,1-3H3;3-8,15-16H,2,9-14H2,1H3,(H2,21,22);5-10,15-16H,2-4,11-14H2,1H3,(H2,21,22)/b26-20+;27-23+;25-19+;2*23-16+
• InChIKey: JKLGZEYHJYEDPH-RPPMLMJMSA-N
• XLogP: 13.53
• TPSA: 515.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 55
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.93
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	3
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 (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine?

The IUPAC name of (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine (CID 172942705) is (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine.

What is the SMILES notation for (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine?

The canonical SMILES for (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine is CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N(C)C)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N4CCC4)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCOCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C1\CCCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.

What is the InChIKey of (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine?

The InChIKey is JKLGZEYHJYEDPH-RPPMLMJMSA-N. The full InChI is InChI=1S/2C24H33N5O4S.C23H33N5O4S.C20H27N5O5S.C20H27N5O4S/c1-2-33-26-20-21-7-9-23(10-8-21)32-18-5-3-4-15-28-16-17-29(34(28,30)31)22-11-12-25-24(19-22)27-13-6-14-27;1-2-33-27-23-8-6-7-19-17-21(9-10-22(19)23)32-16-5-3-4-13-28-14-15-29(34(28,30)31)20-11-12-26-24(25)18-20;1-4-32-25-19-20-8-10-22(11-9-20)31-17-7-5-6-14-27-15-16-28(33(27,29)30)21-12-13-24-23(18-21)26(2)3;1-2-30-23-16-17-3-5-19(6-4-17)29-14-13-28-12-11-24-9-10-25(31(24,26)27)18-7-8-22-20(21)15-18;1-2-29-23-16-17-5-7-19(8-6-17)28-14-4-3-11-24-12-13-25(30(24,26)27)18-9-10-22-20(21)15-18/h7-12,19-20H,2-6,13-18H2,1H3;9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26);8-13,18-19H,4-7,14-17H2,1-3H3;3-8,15-16H,2,9-14H2,1H3,(H2,21,22);5-10,15-16H,2-4,11-14H2,1H3,(H2,21,22)/b26-20+;27-23+;25-19+;2*23-16+.

What are the key properties of (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine?

(E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine has a molecular weight of 2333.93 g/mol, XLogP of 13.53, 55 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[4-[5-[5-[2-(azetidin-1-yl)-4-pyridinyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[2-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethoxy]ethyl]-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]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 172942705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).