5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate

C153H158N26O16S8 — CID 159525253

IUPAC5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCNCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCc3ncc[nH]3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC(O)CC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4N)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)s2)cc1C#N.COC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/C29H34N4O4S2.C27H29N5O2S.C26H25N5OS.C25H25N5O3S.C25H25N3O5S2.C21H20N4OS/c1-19(2)37-27-9-6-20(16-21(27)17-30)29-31-18-28(38-29)25-5-3-4-24-23(25)7-8-26(24)32-39(35,36)15-14-33-12-10-22(34)11-13-33;1-17(2)34-24-9-6-18(14-19(24)15-28)26-30-16-25(35-26)22-5-3-4-21-20(22)7-8-23(21)31-27(33)32-12-10-29-11-13-32;1-16(2)32-23-9-6-17(12-18(23)13-27)26-31-14-24(33-26)21-5-3-4-20-19(21)7-8-22(20)30-15-25-28-10-11-29-25;1-14(2)33-22-9-6-15(10-16(22)11-26)23-28-29-24(34-23)20-5-3-4-19-18(20)7-8-21(19)27-25(32)30-12-17(31)13-30;1-15(2)33-22-10-7-16(11-17(22)12-26)25-27-13-23(34-25)20-6-4-5-19-18(20)8-9-21(19)28-35(30,31)14-24(29)32-3;1-12(2)26-19-9-6-13(10-14(19)11-22)20-24-25-21(27-20)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9,16,18-19,22,26,32,34H,7-8,10-15H2,1-2H3;3-6,9,14,16-17,23,29H,7-8,10-13H2,1-2H3,(H,31,33);3-6,9-12,14,16,22,30H,7-8,15H2,1-2H3,(H,28,29);3-6,9-10,14,17,21,31H,7-8,12-13H2,1-2H3,(H,27,32);4-7,10-11,13,15,21,28H,8-9,14H2,1-3H3;3-6,9-10,12,18H,7-8,23H2,1-2H3/t26-;23-;22-;2*21-;18-/m000000/s1
InChIKeyMCHNJZTZBQWFGZ-RMAATZHMSA-N
MW2873.65 g/mol
LogP27.47
Rot. Bonds38

About 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate

5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate (PubChem CID 159525253) has the molecular formula C153H158N26O16S8 and a molecular weight of 2873.65 g/mol. Its IUPAC name is 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate.

Molecular Properties

Compound Name5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate
PubChem CID159525253
Molecular FormulaC153H158N26O16S8
Molecular Weight2873.65 g/mol
Exact Mass2871.01
IUPAC Name5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCNCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCc3ncc[nH]3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC(O)CC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4N)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)s2)cc1C#N.COC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/C29H34N4O4S2.C27H29N5O2S.C26H25N5OS.C25H25N5O3S.C25H25N3O5S2.C21H20N4OS/c1-19(2)37-27-9-6-20(16-21(27)17-30)29-31-18-28(38-29)25-5-3-4-24-23(25)7-8-26(24)32-39(35,36)15-14-33-12-10-22(34)11-13-33;1-17(2)34-24-9-6-18(14-19(24)15-28)26-30-16-25(35-26)22-5-3-4-21-20(22)7-8-23(21)31-27(33)32-12-10-29-11-13-32;1-16(2)32-23-9-6-17(12-18(23)13-27)26-31-14-24(33-26)21-5-3-4-20-19(21)7-8-22(20)30-15-25-28-10-11-29-25;1-14(2)33-22-9-6-15(10-16(22)11-26)23-28-29-24(34-23)20-5-3-4-19-18(20)7-8-21(19)27-25(32)30-12-17(31)13-30;1-15(2)33-22-10-7-16(11-17(22)12-26)25-27-13-23(34-25)20-6-4-5-19-18(20)8-9-21(19)28-35(30,31)14-24(29)32-3;1-12(2)26-19-9-6-13(10-14(19)11-22)20-24-25-21(27-20)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9,16,18-19,22,26,32,34H,7-8,10-15H2,1-2H3;3-6,9,14,16-17,23,29H,7-8,10-13H2,1-2H3,(H,31,33);3-6,9-12,14,16,22,30H,7-8,15H2,1-2H3,(H,28,29);3-6,9-10,14,17,21,31H,7-8,12-13H2,1-2H3,(H,27,32);4-7,10-11,13,15,21,28H,8-9,14H2,1-3H3;3-6,9-10,12,18H,7-8,23H2,1-2H3/t26-;23-;22-;2*21-;18-/m000000/s1
InChIKeyMCHNJZTZBQWFGZ-RMAATZHMSA-N
XLogP27.47
TPSA607.02 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds38
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002873.65
LogP ≤ 527.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate?
The IUPAC name of 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate (CID 159525253) is 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate.
What is the SMILES notation for 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate?
The canonical SMILES for 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCNCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCc3ncc[nH]3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC(O)CC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4N)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)s2)cc1C#N.COC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.
What is the InChIKey of 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate?
The InChIKey is MCHNJZTZBQWFGZ-RMAATZHMSA-N. The full InChI is InChI=1S/C29H34N4O4S2.C27H29N5O2S.C26H25N5OS.C25H25N5O3S.C25H25N3O5S2.C21H20N4OS/c1-19(2)37-27-9-6-20(16-21(27)17-30)29-31-18-28(38-29)25-5-3-4-24-23(25)7-8-26(24)32-39(35,36)15-14-33-12-10-22(34)11-13-33;1-17(2)34-24-9-6-18(14-19(24)15-28)26-30-16-25(35-26)22-5-3-4-21-20(22)7-8-23(21)31-27(33)32-12-10-29-11-13-32;1-16(2)32-23-9-6-17(12-18(23)13-27)26-31-14-24(33-26)21-5-3-4-20-19(21)7-8-22(20)30-15-25-28-10-11-29-25;1-14(2)33-22-9-6-15(10-16(22)11-26)23-28-29-24(34-23)20-5-3-4-19-18(20)7-8-21(19)27-25(32)30-12-17(31)13-30;1-15(2)33-22-10-7-16(11-17(22)12-26)25-27-13-23(34-25)20-6-4-5-19-18(20)8-9-21(19)28-35(30,31)14-24(29)32-3;1-12(2)26-19-9-6-13(10-14(19)11-22)20-24-25-21(27-20)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9,16,18-19,22,26,32,34H,7-8,10-15H2,1-2H3;3-6,9,14,16-17,23,29H,7-8,10-13H2,1-2H3,(H,31,33);3-6,9-12,14,16,22,30H,7-8,15H2,1-2H3,(H,28,29);3-6,9-10,14,17,21,31H,7-8,12-13H2,1-2H3,(H,27,32);4-7,10-11,13,15,21,28H,8-9,14H2,1-3H3;3-6,9-10,12,18H,7-8,23H2,1-2H3/t26-;23-;22-;2*21-;18-/m000000/s1.
What are the key properties of 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate?
5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate has a molecular weight of 2873.65 g/mol, XLogP of 27.47, 38 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanesulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxamide;5-[5-[(1S)-1-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetate is sourced from PubChem (CID 159525253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).