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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine

C180H250N40O34S8 — CID 172932534

IUPAC4-[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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine
SMILESCC(C)O/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3cc(N)ncn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(C)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC(C)=O)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NCCO)c3)S2(=O)=O)cc1.CCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C25H35N5O4S.C23H31N5O5S.C23H33N5O5S.C23H31N5O4S.2C22H31N5O4S.C22H30N4O4S.C20H28N6O4S/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;1-3-33-25-18-20-7-9-22(10-8-20)32-16-6-4-5-13-27-14-15-28(34(27,30)31)21-11-12-24-23(17-21)26-19(2)29;1-2-33-26-19-20-6-8-22(9-7-20)32-17-5-3-4-13-27-14-15-28(34(27,30)31)21-10-11-24-23(18-21)25-12-16-29;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;1-3-30-24-18-20-7-9-22(10-8-20)29-16-6-4-5-13-25-14-15-26(31(25,27)28)21-11-12-23-19(2)17-21;1-2-30-24-15-17-6-8-18(9-7-17)29-13-5-3-4-10-25-11-12-26(31(25,27)28)20-14-19(21)22-16-23-20/h6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);7-12,17-18H,3-6,13-16H2,1-2H3,(H,24,26,29);6-11,18-19,29H,2-5,12-17H2,1H3,(H,24,25);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);7-12,17-18H,3-6,13-16H2,1-2H3;6-9,14-16H,2-5,10-13H2,1H3,(H2,21,22,23)/b28-23+;25-18+;26-19+;26-17+;25-17+;25-18+;24-18+;24-15+
InChIKeyANALQORTOSMQBY-OGJCADIFSA-N
MW3774.76 g/mol
LogP23.71
Rot. Bonds93

About 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine

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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine (PubChem CID 172932534) has the molecular formula C180H250N40O34S8 and a molecular weight of 3774.76 g/mol. Its IUPAC name is 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine.

Molecular Properties

Compound Name4-[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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine
PubChem CID172932534
Molecular FormulaC180H250N40O34S8
Molecular Weight3774.76 g/mol
Exact Mass3771.68
IUPAC Name4-[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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine
SMILESCC(C)O/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3cc(N)ncn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(C)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC(C)=O)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NCCO)c3)S2(=O)=O)cc1.CCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C25H35N5O4S.C23H31N5O5S.C23H33N5O5S.C23H31N5O4S.2C22H31N5O4S.C22H30N4O4S.C20H28N6O4S/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;1-3-33-25-18-20-7-9-22(10-8-20)32-16-6-4-5-13-27-14-15-28(34(27,30)31)21-11-12-24-23(17-21)26-19(2)29;1-2-33-26-19-20-6-8-22(9-7-20)32-17-5-3-4-13-27-14-15-28(34(27,30)31)21-10-11-24-23(18-21)25-12-16-29;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;1-3-30-24-18-20-7-9-22(10-8-20)29-16-6-4-5-13-25-14-15-26(31(25,27)28)21-11-12-23-19(2)17-21;1-2-30-24-15-17-6-8-18(9-7-17)29-13-5-3-4-10-25-11-12-26(31(25,27)28)20-14-19(21)22-16-23-20/h6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);7-12,17-18H,3-6,13-16H2,1-2H3,(H,24,26,29);6-11,18-19,29H,2-5,12-17H2,1H3,(H,24,25);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);7-12,17-18H,3-6,13-16H2,1-2H3;6-9,14-16H,2-5,10-13H2,1H3,(H2,21,22,23)/b28-23+;25-18+;26-19+;26-17+;25-17+;25-18+;24-18+;24-15+
InChIKeyANALQORTOSMQBY-OGJCADIFSA-N
XLogP23.71
TPSA865.00 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds93
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003774.76
LogP ≤ 523.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

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'}

Analyze 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine?
The IUPAC name of 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine (CID 172932534) is 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine.
What is the SMILES notation for 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine?
The canonical SMILES for 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine is CC(C)O/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3cc(N)ncn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(C)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC(C)=O)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NCCO)c3)S2(=O)=O)cc1.CCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1.
What is the InChIKey of 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine?
The InChIKey is ANALQORTOSMQBY-OGJCADIFSA-N. The full InChI is InChI=1S/C25H35N5O4S.C23H31N5O5S.C23H33N5O5S.C23H31N5O4S.2C22H31N5O4S.C22H30N4O4S.C20H28N6O4S/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;1-3-33-25-18-20-7-9-22(10-8-20)32-16-6-4-5-13-27-14-15-28(34(27,30)31)21-11-12-24-23(17-21)26-19(2)29;1-2-33-26-19-20-6-8-22(9-7-20)32-17-5-3-4-13-27-14-15-28(34(27,30)31)21-10-11-24-23(18-21)25-12-16-29;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;1-3-30-24-18-20-7-9-22(10-8-20)29-16-6-4-5-13-25-14-15-26(31(25,27)28)21-11-12-23-19(2)17-21;1-2-30-24-15-17-6-8-18(9-7-17)29-13-5-3-4-10-25-11-12-26(31(25,27)28)20-14-19(21)22-16-23-20/h6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);7-12,17-18H,3-6,13-16H2,1-2H3,(H,24,26,29);6-11,18-19,29H,2-5,12-17H2,1H3,(H,24,25);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);7-12,17-18H,3-6,13-16H2,1-2H3;6-9,14-16H,2-5,10-13H2,1H3,(H2,21,22,23)/b28-23+;25-18+;26-19+;26-17+;25-17+;25-18+;24-18+;24-15+.
What are the key properties of 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine?
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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine has a molecular weight of 3774.76 g/mol, XLogP of 23.71, 93 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[[(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-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;N-[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]acetamide;2-[[4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;6-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyrimidin-4-amine;(E)-N-ethoxy-1-[4-[5-[5-(2-methyl-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]phenyl]methanimine is sourced from PubChem (CID 172932534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).