2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C137H184F2N34O24S6 — CID 172963126

IUPAC2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCC(C)n1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.CCO/N=C1\CCc2cc(OCCC(F)(F)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cc1nc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)no1.Nc1cc(N2CCN(CCCCCOc3ccc4c(c3)CCC4NOCCO)S2(=O)=O)ccn1
InChIInChI=1S/2C24H33N5O4S.C23H29F2N5O4S.C23H33N5O5S.C22H30N8O3S.C21H26N6O4S/c2*1-3-33-27-23-7-4-19-16-21(5-6-22(19)23)32-15-10-18(2)9-12-28-13-14-29(34(28,30)31)20-8-11-26-24(25)17-20;1-2-34-28-21-6-3-17-15-19(4-5-20(17)21)33-14-9-23(24,25)8-11-29-12-13-30(35(29,31)32)18-7-10-27-22(26)16-18;24-23-17-19(8-9-25-23)28-12-11-27(34(28,30)31)10-2-1-3-14-32-20-5-6-21-18(16-20)4-7-22(21)26-33-15-13-29;1-17(2)30-26-22(25-27-30)18-6-8-20(9-7-18)33-15-5-3-4-12-28-13-14-29(34(28,31)32)19-10-11-24-21(23)16-19;1-16-24-21(25-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-23-20(22)15-18/h2*5-6,8,11,16-18H,3-4,7,9-10,12-15H2,1-2H3,(H2,25,26);4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3,(H2,26,27);5-6,8-9,16-17,22,26,29H,1-4,7,10-15H2,(H2,24,25);6-11,16-17H,3-5,12-15H2,1-2H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,22,23)/b2*27-23+;28-21+;;;/t2*18-;;;;/m10..../s1
InChIKeyLAHQIQYQRWFNRV-PHMFSKAWSA-N
MW2921.59 g/mol
LogP16.57
Rot. Bonds61

About 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 172963126) has the molecular formula C137H184F2N34O24S6 and a molecular weight of 2921.59 g/mol. Its IUPAC name is 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
PubChem CID172963126
Molecular FormulaC137H184F2N34O24S6
Molecular Weight2921.59 g/mol
Exact Mass2919.25
IUPAC Name2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCC(C)n1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.CCO/N=C1\CCc2cc(OCCC(F)(F)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cc1nc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)no1.Nc1cc(N2CCN(CCCCCOc3ccc4c(c3)CCC4NOCCO)S2(=O)=O)ccn1
InChIInChI=1S/2C24H33N5O4S.C23H29F2N5O4S.C23H33N5O5S.C22H30N8O3S.C21H26N6O4S/c2*1-3-33-27-23-7-4-19-16-21(5-6-22(19)23)32-15-10-18(2)9-12-28-13-14-29(34(28,30)31)20-8-11-26-24(25)17-20;1-2-34-28-21-6-3-17-15-19(4-5-20(17)21)33-14-9-23(24,25)8-11-29-12-13-30(35(29,31)32)18-7-10-27-22(26)16-18;24-23-17-19(8-9-25-23)28-12-11-27(34(28,30)31)10-2-1-3-14-32-20-5-6-21-18(16-20)4-7-22(21)26-33-15-13-29;1-17(2)30-26-22(25-27-30)18-6-8-20(9-7-18)33-15-5-3-4-12-28-13-14-29(34(28,31)32)19-10-11-24-21(23)16-19;1-16-24-21(25-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-23-20(22)15-18/h2*5-6,8,11,16-18H,3-4,7,9-10,12-15H2,1-2H3,(H2,25,26);4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3,(H2,26,27);5-6,8-9,16-17,22,26,29H,1-4,7,10-15H2,(H2,24,25);6-11,16-17H,3-5,12-15H2,1-2H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,22,23)/b2*27-23+;28-21+;;;/t2*18-;;;;/m10..../s1
InChIKeyLAHQIQYQRWFNRV-PHMFSKAWSA-N
XLogP16.57
TPSA721.34 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds61
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002921.59
LogP ≤ 516.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

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 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-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 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The IUPAC name of 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 172963126) is 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is CC(C)n1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.CCO/N=C1\CCc2cc(OCCC(F)(F)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCC[C@H](C)CCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cc1nc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)no1.Nc1cc(N2CCN(CCCCCOc3ccc4c(c3)CCC4NOCCO)S2(=O)=O)ccn1.
What is the InChIKey of 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The InChIKey is LAHQIQYQRWFNRV-PHMFSKAWSA-N. The full InChI is InChI=1S/2C24H33N5O4S.C23H29F2N5O4S.C23H33N5O5S.C22H30N8O3S.C21H26N6O4S/c2*1-3-33-27-23-7-4-19-16-21(5-6-22(19)23)32-15-10-18(2)9-12-28-13-14-29(34(28,30)31)20-8-11-26-24(25)17-20;1-2-34-28-21-6-3-17-15-19(4-5-20(17)21)33-14-9-23(24,25)8-11-29-12-13-30(35(29,31)32)18-7-10-27-22(26)16-18;24-23-17-19(8-9-25-23)28-12-11-27(34(28,30)31)10-2-1-3-14-32-20-5-6-21-18(16-20)4-7-22(21)26-33-15-13-29;1-17(2)30-26-22(25-27-30)18-6-8-20(9-7-18)33-15-5-3-4-12-28-13-14-29(34(28,31)32)19-10-11-24-21(23)16-19;1-16-24-21(25-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-23-20(22)15-18/h2*5-6,8,11,16-18H,3-4,7,9-10,12-15H2,1-2H3,(H2,25,26);4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3,(H2,26,27);5-6,8-9,16-17,22,26,29H,1-4,7,10-15H2,(H2,24,25);6-11,16-17H,3-5,12-15H2,1-2H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,22,23)/b2*27-23+;28-21+;;;/t2*18-;;;;/m10..../s1.
What are the key properties of 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 2921.59 g/mol, XLogP of 16.57, 61 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pentoxy]-2,3-dihydro-1H-inden-1-yl]amino]oxyethanol;4-[1,1-dioxo-5-[5-[4-(2-propan-2-yltetrazol-5-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-difluoropentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3R)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[(3S)-5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 172963126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).