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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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

C128H172ClN29O24S6 — CID 172919448

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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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.CCCc1nc2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2o1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccc(Cl)nn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)c3)S2(=O)=O)cc1.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1.Nc1cc(N2CCN(CCCCCOc3ccc(C=O)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C23H31N5O4S.C22H29N5O4S.2C22H31N5O4S.C20H26ClN5O4S.C19H24N4O4S/c24-23-16-21(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;1-2-6-22-25-19-8-7-18(16-20(19)31-22)30-14-5-3-4-11-26-12-13-27(32(26,28)29)17-9-10-24-21(23)15-17;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;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/h6-11,16-17,20H,1-5,12-15,18H2,(H2,24,25);7-10,15-16H,2-6,11-14H2,1H3,(H2,23,24);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;4-9,14-15H,1-3,10-13H2,(H2,20,21)/b26-17+;;25-17+;25-18+;22-16+;
InChIKeyZUBVUEDVCUFXSN-DLKXQBMGSA-N
MW2728.82 g/mol
LogP17.77
Rot. Bonds65

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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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 172919448) has the molecular formula C128H172ClN29O24S6 and a molecular weight of 2728.82 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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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 CID172919448
Molecular FormulaC128H172ClN29O24S6
Molecular Weight2728.82 g/mol
Exact Mass2726.11
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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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.CCCc1nc2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2o1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccc(Cl)nn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)c3)S2(=O)=O)cc1.Nc1cc(N2CCN(CCCCCOc3ccc(/C=N/OCC4CC4)cc3)S2(=O)=O)ccn1.Nc1cc(N2CCN(CCCCCOc3ccc(C=O)cc3)S2(=O)=O)ccn1
InChIInChI=1S/C23H31N5O4S.C22H29N5O4S.2C22H31N5O4S.C20H26ClN5O4S.C19H24N4O4S/c24-23-16-21(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;1-2-6-22-25-19-8-7-18(16-20(19)31-22)30-14-5-3-4-11-26-12-13-27(32(26,28)29)17-9-10-24-21(23)15-17;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;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/h6-11,16-17,20H,1-5,12-15,18H2,(H2,24,25);7-10,15-16H,2-6,11-14H2,1H3,(H2,23,24);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;4-9,14-15H,1-3,10-13H2,(H2,20,21)/b26-17+;;25-17+;25-18+;22-16+;
InChIKeyZUBVUEDVCUFXSN-DLKXQBMGSA-N
XLogP17.77
TPSA634.90 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds65
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.82
LogP ≤ 517.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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

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

Launch Full Analysis

Related Compounds

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

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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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 172919448) 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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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.CCCc1nc2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2o1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccc(Cl)nn3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(NC)c3)S2(=O)=O)cc1.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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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 ZUBVUEDVCUFXSN-DLKXQBMGSA-N. The full InChI is InChI=1S/C23H31N5O4S.C22H29N5O4S.2C22H31N5O4S.C20H26ClN5O4S.C19H24N4O4S/c24-23-16-21(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;1-2-6-22-25-19-8-7-18(16-20(19)31-22)30-14-5-3-4-11-26-12-13-27(32(26,28)29)17-9-10-24-21(23)15-17;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;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/h6-11,16-17,20H,1-5,12-15,18H2,(H2,24,25);7-10,15-16H,2-6,11-14H2,1H3,(H2,23,24);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;4-9,14-15H,1-3,10-13H2,(H2,20,21)/b26-17+;;25-17+;25-18+;22-16+;.
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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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 2728.82 g/mol, XLogP of 17.77, 65 rotatable bonds, 5 hydrogen bond donors, and 41 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-[1,1-dioxo-5-[5-[(2-propyl-1,3-benzoxazol-6-yl)oxy]pentyl]-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 172919448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).