4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C141H187F4N31O25S6 — CID 172949107

IUPAC4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4F)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(NC)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(NCCO)c4)S3(=O)=O)ccc21.CO/N=C1\CCc2cc(OCCC(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(-c4noc(C(F)(F)F)n4)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C25H35N5O5S.C25H35N5O4S.C24H33N5O4S.C23H30FN5O4S.C23H31N5O4S.C21H23F3N6O4S/c1-2-35-28-24-9-6-20-18-22(7-8-23(20)24)34-17-5-3-4-13-29-14-15-30(36(29,32)33)21-10-11-26-25(19-21)27-12-16-31;1-4-34-28-23-8-5-19-17-21(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;1-3-33-27-23-10-7-19-17-21(8-9-22(19)23)32-16-6-4-5-13-28-14-15-29(34(28,30)31)20-11-12-26-24(18-20)25-2;1-2-33-27-20-9-6-17-16-18(7-8-19(17)20)32-15-5-3-4-12-28-13-14-29(34(28,30)31)21-10-11-26-23(25)22(21)24;1-17(9-14-32-20-4-5-21-18(15-20)3-6-22(21)26-31-2)8-11-27-12-13-28(33(27,29)30)19-7-10-25-23(24)16-19;22-21(23,24)20-27-19(28-34-20)15-4-6-17(7-5-15)33-13-3-1-2-10-29-11-12-30(35(29,31)32)16-8-9-26-18(25)14-16/h7-8,10-11,18-19,31H,2-6,9,12-17H2,1H3,(H,26,27);6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);8-9,11-12,17-18H,3-7,10,13-16H2,1-2H3,(H,25,26);7-8,10-11,16H,2-6,9,12-15H2,1H3,(H2,25,26);4-5,7,10,15-17H,3,6,8-9,11-14H2,1-2H3,(H2,24,25);4-9,14H,1-3,10-13H2,(H2,25,26)/b28-24+;28-23+;27-23+;27-20+;26-22+;
InChIKeyIOCBYJBECSBVLT-WOYOVQJQSA-N
MW2984.63 g/mol
LogP19.09
Rot. Bonds62

About 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 172949107) has the molecular formula C141H187F4N31O25S6 and a molecular weight of 2984.63 g/mol. Its IUPAC name is 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
PubChem CID172949107
Molecular FormulaC141H187F4N31O25S6
Molecular Weight2984.63 g/mol
Exact Mass2982.26
IUPAC Name4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4F)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(NC)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(NCCO)c4)S3(=O)=O)ccc21.CO/N=C1\CCc2cc(OCCC(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(-c4noc(C(F)(F)F)n4)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C25H35N5O5S.C25H35N5O4S.C24H33N5O4S.C23H30FN5O4S.C23H31N5O4S.C21H23F3N6O4S/c1-2-35-28-24-9-6-20-18-22(7-8-23(20)24)34-17-5-3-4-13-29-14-15-30(36(29,32)33)21-10-11-26-25(19-21)27-12-16-31;1-4-34-28-23-8-5-19-17-21(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;1-3-33-27-23-10-7-19-17-21(8-9-22(19)23)32-16-6-4-5-13-28-14-15-29(34(28,30)31)20-11-12-26-24(18-20)25-2;1-2-33-27-20-9-6-17-16-18(7-8-19(17)20)32-15-5-3-4-12-28-13-14-29(34(28,30)31)21-10-11-26-23(25)22(21)24;1-17(9-14-32-20-4-5-21-18(15-20)3-6-22(21)26-31-2)8-11-27-12-13-28(33(27,29)30)19-7-10-25-23(24)16-19;22-21(23,24)20-27-19(28-34-20)15-4-6-17(7-5-15)33-13-3-1-2-10-29-11-12-30(35(29,31)32)16-8-9-26-18(25)14-16/h7-8,10-11,18-19,31H,2-6,9,12-17H2,1H3,(H,26,27);6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);8-9,11-12,17-18H,3-7,10,13-16H2,1-2H3,(H,25,26);7-8,10-11,16H,2-6,9,12-15H2,1H3,(H2,25,26);4-5,7,10,15-17H,3,6,8-9,11-14H2,1-2H3,(H2,24,25);4-9,14H,1-3,10-13H2,(H2,25,26)/b28-24+;28-23+;27-23+;27-20+;26-22+;
InChIKeyIOCBYJBECSBVLT-WOYOVQJQSA-N
XLogP19.09
TPSA671.68 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds62
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.63
LogP ≤ 519.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

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-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 172949107) is 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is CCO/N=C1\CCc2cc(OCCC(C)(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4F)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(NC)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(NCCO)c4)S3(=O)=O)ccc21.CO/N=C1\CCc2cc(OCCC(C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(-c4noc(C(F)(F)F)n4)cc3)S2(=O)=O)ccn1.
What is the InChIKey of 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The InChIKey is IOCBYJBECSBVLT-WOYOVQJQSA-N. The full InChI is InChI=1S/C25H35N5O5S.C25H35N5O4S.C24H33N5O4S.C23H30FN5O4S.C23H31N5O4S.C21H23F3N6O4S/c1-2-35-28-24-9-6-20-18-22(7-8-23(20)24)34-17-5-3-4-13-29-14-15-30(36(29,32)33)21-10-11-26-25(19-21)27-12-16-31;1-4-34-28-23-8-5-19-17-21(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;1-3-33-27-23-10-7-19-17-21(8-9-22(19)23)32-16-6-4-5-13-28-14-15-29(34(28,30)31)20-11-12-26-24(18-20)25-2;1-2-33-27-20-9-6-17-16-18(7-8-19(17)20)32-15-5-3-4-12-28-13-14-29(34(28,30)31)21-10-11-26-23(25)22(21)24;1-17(9-14-32-20-4-5-21-18(15-20)3-6-22(21)26-31-2)8-11-27-12-13-28(33(27,29)30)19-7-10-25-23(24)16-19;22-21(23,24)20-27-19(28-34-20)15-4-6-17(7-5-15)33-13-3-1-2-10-29-11-12-30(35(29,31)32)16-8-9-26-18(25)14-16/h7-8,10-11,18-19,31H,2-6,9,12-17H2,1H3,(H,26,27);6-7,9,12,17-18H,4-5,8,10-11,13-16H2,1-3H3,(H2,26,27);8-9,11-12,17-18H,3-7,10,13-16H2,1-2H3,(H,25,26);7-8,10-11,16H,2-6,9,12-15H2,1H3,(H2,25,26);4-5,7,10,15-17H,3,6,8-9,11-14H2,1-2H3,(H2,24,25);4-9,14H,1-3,10-13H2,(H2,25,26)/b28-24+;28-23+;27-23+;27-20+;26-22+;.
What are the key properties of 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 2984.63 g/mol, XLogP of 19.09, 62 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-dioxo-5-[5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-3-fluoropyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-methylpyridin-2-amine;2-[[4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-2-pyridinyl]amino]ethanol;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 172949107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).