N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C154H165FN16O26S9 — CID 158774350

IUPACN-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC.CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CC[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1cccc(C)c1.Cc1cc(-c2nc(CCOc3ccc(CC4SC(=O)NC4=O)c4sccc34)c(C)o2)cc(C)c1C.Cc1ccnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12
InChIInChI=1S/C27H26N2O4S2.C24H20N2O4S2.C22H30FN3O4S.2C20H20N2O4S.C20H22N2O3S.C19H21N3O3S.C2H6/c1-14-11-19(12-15(2)16(14)3)26-28-21(17(4)33-26)7-9-32-22-6-5-18(24-20(22)8-10-34-24)13-23-25(30)29-27(31)35-23;1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20;1-6-17(27)13-18(28)11-12-19-20(14(2)3)24-22(26(4)31(5,29)30)25-21(19)15-7-9-16(23)10-8-15;1-12-3-5-13(6-4-12)11-21-18(23)15-9-14(7-8-16(15)26-2)10-17-19(24)22-20(25)27-17;1-12-4-3-5-14(8-12)11-21-18(23)15-9-13(6-7-16(15)26-2)10-17-19(24)22-20(25)27-17;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18;1-13-7-8-20-17(11-13)22(2)9-10-25-15-5-3-14(4-6-15)12-16-18(23)21-19(24)26-16;1-2/h5-6,8,10-12,23H,7,9,13H2,1-4H3,(H,29,30,31);2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28);7-12,14,17-18,27-28H,6,13H2,1-5H3;2*3-9,17H,10-11H2,1-2H3,(H,21,23)(H,22,24,25);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24);3-8,11,16H,9-10,12H2,1-2H3,(H,21,23,24);1-2H3/b;;12-11+;;;;;/t;;17-,18+;;;;;/m..0...../s1
InChIKeyIQHBCTQAFPTNBZ-DOGANTRVSA-N
MW2963.70 g/mol
LogP28.22
Rot. Bonds49

About N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 158774350) has the molecular formula C154H165FN16O26S9 and a molecular weight of 2963.70 g/mol. Its IUPAC name is N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound NameN-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID158774350
Molecular FormulaC154H165FN16O26S9
Molecular Weight2963.70 g/mol
Exact Mass2960.96
IUPAC NameN-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC.CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CC[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1cccc(C)c1.Cc1cc(-c2nc(CCOc3ccc(CC4SC(=O)NC4=O)c4sccc34)c(C)o2)cc(C)c1C.Cc1ccnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12
InChIInChI=1S/C27H26N2O4S2.C24H20N2O4S2.C22H30FN3O4S.2C20H20N2O4S.C20H22N2O3S.C19H21N3O3S.C2H6/c1-14-11-19(12-15(2)16(14)3)26-28-21(17(4)33-26)7-9-32-22-6-5-18(24-20(22)8-10-34-24)13-23-25(30)29-27(31)35-23;1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20;1-6-17(27)13-18(28)11-12-19-20(14(2)3)24-22(26(4)31(5,29)30)25-21(19)15-7-9-16(23)10-8-15;1-12-3-5-13(6-4-12)11-21-18(23)15-9-14(7-8-16(15)26-2)10-17-19(24)22-20(25)27-17;1-12-4-3-5-14(8-12)11-21-18(23)15-9-13(6-7-16(15)26-2)10-17-19(24)22-20(25)27-17;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18;1-13-7-8-20-17(11-13)22(2)9-10-25-15-5-3-14(4-6-15)12-16-18(23)21-19(24)26-16;1-2/h5-6,8,10-12,23H,7,9,13H2,1-4H3,(H,29,30,31);2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28);7-12,14,17-18,27-28H,6,13H2,1-5H3;2*3-9,17H,10-11H2,1-2H3,(H,21,23)(H,22,24,25);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24);3-8,11,16H,9-10,12H2,1-2H3,(H,21,23,24);1-2H3/b;;12-11+;;;;;/t;;17-,18+;;;;;/m..0...../s1
InChIKeyIQHBCTQAFPTNBZ-DOGANTRVSA-N
XLogP28.22
TPSA575.30 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds49
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.70
LogP ≤ 528.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 158774350) is N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC.CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CC[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1cccc(C)c1.Cc1cc(-c2nc(CCOc3ccc(CC4SC(=O)NC4=O)c4sccc34)c(C)o2)cc(C)c1C.Cc1ccnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12.
What is the InChIKey of N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is IQHBCTQAFPTNBZ-DOGANTRVSA-N. The full InChI is InChI=1S/C27H26N2O4S2.C24H20N2O4S2.C22H30FN3O4S.2C20H20N2O4S.C20H22N2O3S.C19H21N3O3S.C2H6/c1-14-11-19(12-15(2)16(14)3)26-28-21(17(4)33-26)7-9-32-22-6-5-18(24-20(22)8-10-34-24)13-23-25(30)29-27(31)35-23;1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20;1-6-17(27)13-18(28)11-12-19-20(14(2)3)24-22(26(4)31(5,29)30)25-21(19)15-7-9-16(23)10-8-15;1-12-3-5-13(6-4-12)11-21-18(23)15-9-14(7-8-16(15)26-2)10-17-19(24)22-20(25)27-17;1-12-4-3-5-14(8-12)11-21-18(23)15-9-13(6-7-16(15)26-2)10-17-19(24)22-20(25)27-17;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18;1-13-7-8-20-17(11-13)22(2)9-10-25-15-5-3-14(4-6-15)12-16-18(23)21-19(24)26-16;1-2/h5-6,8,10-12,23H,7,9,13H2,1-4H3,(H,29,30,31);2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28);7-12,14,17-18,27-28H,6,13H2,1-5H3;2*3-9,17H,10-11H2,1-2H3,(H,21,23)(H,22,24,25);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24);3-8,11,16H,9-10,12H2,1-2H3,(H,21,23,24);1-2H3/b;;12-11+;;;;;/t;;17-,18+;;;;;/m..0...../s1.
What are the key properties of N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 2963.70 g/mol, XLogP of 28.22, 49 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E,3S,5S)-3,5-dihydroxyhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]benzamide;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide;ethane;5-[[4-[2-[methyl-(4-methyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158774350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).