4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine

C150H203ClN34O29S7 — CID 172957782

IUPAC4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine
SMILESCC(C)O/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccc(Cl)nn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)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.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1.Nc1cc(N2CCN(CCCCCOc3ccc(C=O)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C24H33N5O4S.C23H31N5O4S.2C22H31N5O4S.C20H26ClN5O4S.C20H27N5O5S.C19H24N4O4S/c1-2-33-27-23-8-6-7-19-17-21(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;24-23-16-21(10-11-25-23)28-14-13-27(33(28,29)30)12-2-1-3-15-31-22-8-6-19(7-9-22)17-26-32-18-20-4-5-20;1-18(2)31-25-17-19-6-8-21(9-7-19)30-15-5-3-4-12-26-13-14-27(32(26,28)29)20-10-11-24-22(23)16-20;1-3-31-25-18-19-7-9-21(10-8-19)30-16-6-4-5-13-26-14-15-27(32(26,28)29)20-11-12-24-22(17-20)23-2;1-2-30-22-16-17-6-8-18(9-7-17)29-15-5-3-4-12-25-13-14-26(31(25,27)28)20-11-10-19(21)23-24-20;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;20-19-14-17(8-9-21-19)23-12-11-22(28(23,25)26)10-2-1-3-13-27-18-6-4-16(15-24)5-7-18/h9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26);6-11,16-17,20H,1-5,12-15,18H2,(H2,24,25);6-11,16-18H,3-5,12-15H2,1-2H3,(H2,23,24);7-12,17-18H,3-6,13-16H2,1-2H3,(H,23,24);6-11,16H,2-5,12-15H2,1H3;3-8,15-16H,2,9-14H2,1H3,(H2,21,22);4-9,14-15H,1-3,10-13H2,(H2,20,21)/b27-23+;26-17+;25-17+;25-18+;22-16+;23-16+;
InChIKeyIJAFPACVUWUFJD-IWKDTOLCSA-N
MW3206.40 g/mol
LogP19.25
Rot. Bonds76

About 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine

4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine (PubChem CID 172957782) has the molecular formula C150H203ClN34O29S7 and a molecular weight of 3206.40 g/mol. Its IUPAC name is 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine
PubChem CID172957782
Molecular FormulaC150H203ClN34O29S7
Molecular Weight3206.40 g/mol
Exact Mass3203.32
IUPAC Name4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine
SMILESCC(C)O/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccc(Cl)nn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)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.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1.Nc1cc(N2CCN(CCCCCOc3ccc(C=O)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C24H33N5O4S.C23H31N5O4S.2C22H31N5O4S.C20H26ClN5O4S.C20H27N5O5S.C19H24N4O4S/c1-2-33-27-23-8-6-7-19-17-21(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;24-23-16-21(10-11-25-23)28-14-13-27(33(28,29)30)12-2-1-3-15-31-22-8-6-19(7-9-22)17-26-32-18-20-4-5-20;1-18(2)31-25-17-19-6-8-21(9-7-19)30-15-5-3-4-12-26-13-14-27(32(26,28)29)20-10-11-24-22(23)16-20;1-3-31-25-18-19-7-9-21(10-8-19)30-16-6-4-5-13-26-14-15-27(32(26,28)29)20-11-12-24-22(17-20)23-2;1-2-30-22-16-17-6-8-18(9-7-17)29-15-5-3-4-12-25-13-14-26(31(25,27)28)20-11-10-19(21)23-24-20;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;20-19-14-17(8-9-21-19)23-12-11-22(28(23,25)26)10-2-1-3-13-27-18-6-4-16(15-24)5-7-18/h9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26);6-11,16-17,20H,1-5,12-15,18H2,(H2,24,25);6-11,16-18H,3-5,12-15H2,1-2H3,(H2,23,24);7-12,17-18H,3-6,13-16H2,1-2H3,(H,23,24);6-11,16H,2-5,12-15H2,1H3;3-8,15-16H,2,9-14H2,1H3,(H2,21,22);4-9,14-15H,1-3,10-13H2,(H2,20,21)/b27-23+;26-17+;25-17+;25-18+;22-16+;23-16+;
InChIKeyIJAFPACVUWUFJD-IWKDTOLCSA-N
XLogP19.25
TPSA750.04 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds76
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003206.40
LogP ≤ 519.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine?
The IUPAC name of 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine (CID 172957782) is 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine.
What is the SMILES notation for 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine?
The canonical SMILES for 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine is CC(C)O/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccc(Cl)nn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)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.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1.Nc1cc(N2CCN(CCCCCOc3ccc(C=O)cc3)S2(=O)=O)ccn1.
What is the InChIKey of 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine?
The InChIKey is IJAFPACVUWUFJD-IWKDTOLCSA-N. The full InChI is InChI=1S/C24H33N5O4S.C23H31N5O4S.2C22H31N5O4S.C20H26ClN5O4S.C20H27N5O5S.C19H24N4O4S/c1-2-33-27-23-8-6-7-19-17-21(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;24-23-16-21(10-11-25-23)28-14-13-27(33(28,29)30)12-2-1-3-15-31-22-8-6-19(7-9-22)17-26-32-18-20-4-5-20;1-18(2)31-25-17-19-6-8-21(9-7-19)30-15-5-3-4-12-26-13-14-27(32(26,28)29)20-10-11-24-22(23)16-20;1-3-31-25-18-19-7-9-21(10-8-19)30-16-6-4-5-13-26-14-15-27(32(26,28)29)20-11-12-24-22(17-20)23-2;1-2-30-22-16-17-6-8-18(9-7-17)29-15-5-3-4-12-25-13-14-26(31(25,27)28)20-11-10-19(21)23-24-20;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;20-19-14-17(8-9-21-19)23-12-11-22(28(23,25)26)10-2-1-3-13-27-18-6-4-16(15-24)5-7-18/h9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26);6-11,16-17,20H,1-5,12-15,18H2,(H2,24,25);6-11,16-18H,3-5,12-15H2,1-2H3,(H2,23,24);7-12,17-18H,3-6,13-16H2,1-2H3,(H,23,24);6-11,16H,2-5,12-15H2,1H3;3-8,15-16H,2,9-14H2,1H3,(H2,21,22);4-9,14-15H,1-3,10-13H2,(H2,20,21)/b27-23+;26-17+;25-17+;25-18+;22-16+;23-16+;.
What are the key properties of 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine?
4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine has a molecular weight of 3206.40 g/mol, XLogP of 19.25, 76 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]benzaldehyde;(E)-1-[4-[5-[5-(6-chloropyridazin-3-yl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-cyclopropylmethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[1,1-dioxo-5-[5-[4-[(E)-propan-2-yloxyiminomethyl]phenoxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;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-[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-methylpyridin-2-amine is sourced from PubChem (CID 172957782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).