2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile

C305H319N39O25S12 — CID 157069237

IUPAC2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile
SMILESCC(=O)CN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4N[C@H](C)CO)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)O)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCC3)s2)cc1C#N.CCCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CCCN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COC(=O)CN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COC(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/2C28H30N4O2S.C26H28N4O2S.C25H25N3O3S.C25H27N3O2S.C25H25N3O2S.2C25H27N3O2S.2C25H27N3OS.2C24H23N3O3S/c2*1-18(2)34-25-11-8-19(14-20(25)15-29)28-31-16-26(35-28)23-7-5-6-22-21(23)9-10-24(22)30-17-27(33)32-12-3-4-13-32;1-16(2)32-23-11-8-17(12-18(23)13-27)26-29-14-24(33-26)21-7-5-6-20-19(21)9-10-22(20)28-15-25(31)30(3)4;1-15(2)31-22-10-7-16(11-17(22)12-26)25-28-13-23(32-25)20-6-4-5-19-18(20)8-9-21(19)27-14-24(29)30-3;1-15(2)30-23-10-7-17(11-18(23)12-26)25-27-13-24(31-25)21-6-4-5-20-19(21)8-9-22(20)28-16(3)14-29;1-15(2)30-23-10-7-17(11-18(23)12-26)25-28-14-24(31-25)21-6-4-5-20-19(21)8-9-22(20)27-13-16(3)29;2*1-16(2)30-23-10-7-17(13-18(23)14-26)25-28-15-24(31-25)21-6-4-5-20-19(21)8-9-22(20)27-11-12-29-3;2*1-4-12-27-22-10-9-19-20(22)6-5-7-21(19)24-15-28-25(30-24)17-8-11-23(29-16(2)3)18(13-17)14-26;1-14(2)30-21-10-7-15(11-16(21)12-25)23-26-13-22(31-23)19-6-4-5-18-17(19)8-9-20(18)27-24(28)29-3;1-14(2)30-21-9-6-15(10-16(21)11-25)24-27-12-22(31-24)19-5-3-4-18-17(19)7-8-20(18)26-13-23(28)29/h2*5-8,11,14,16,18,24,30H,3-4,9-10,12-13,17H2,1-2H3;5-8,11-12,14,16,22,28H,9-10,15H2,1-4H3;4-7,10-11,13,15,21,27H,8-9,14H2,1-3H3;4-7,10-11,13,15-16,22,28-29H,8-9,14H2,1-3H3;4-7,10-11,14-15,22,27H,8-9,13H2,1-3H3;2*4-7,10,13,15-16,22,27H,8-9,11-12H2,1-3H3;2*5-8,11,13,15-16,22,27H,4,9-10,12H2,1-3H3;4-7,10-11,13-14,20H,8-9H2,1-3H3,(H,27,28);3-6,9-10,12,14,20,26H,7-8,13H2,1-2H3,(H,28,29)/t2*24-;22-;21-;16-,22?;5*22-;2*20-/m100011101000/s1
InChIKeyACFQHRKZESGBHP-VJQFUVKLSA-N
MW5315.96 g/mol
LogP63.99
Rot. Bonds84

About 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile

2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile (PubChem CID 157069237) has the molecular formula C305H319N39O25S12 and a molecular weight of 5315.96 g/mol. Its IUPAC name is 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile
PubChem CID157069237
Molecular FormulaC305H319N39O25S12
Molecular Weight5315.96 g/mol
Exact Mass5311.15
IUPAC Name2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile
SMILESCC(=O)CN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4N[C@H](C)CO)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)O)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCC3)s2)cc1C#N.CCCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CCCN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COC(=O)CN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COC(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/2C28H30N4O2S.C26H28N4O2S.C25H25N3O3S.C25H27N3O2S.C25H25N3O2S.2C25H27N3O2S.2C25H27N3OS.2C24H23N3O3S/c2*1-18(2)34-25-11-8-19(14-20(25)15-29)28-31-16-26(35-28)23-7-5-6-22-21(23)9-10-24(22)30-17-27(33)32-12-3-4-13-32;1-16(2)32-23-11-8-17(12-18(23)13-27)26-29-14-24(33-26)21-7-5-6-20-19(21)9-10-22(20)28-15-25(31)30(3)4;1-15(2)31-22-10-7-16(11-17(22)12-26)25-28-13-23(32-25)20-6-4-5-19-18(20)8-9-21(19)27-14-24(29)30-3;1-15(2)30-23-10-7-17(11-18(23)12-26)25-27-13-24(31-25)21-6-4-5-20-19(21)8-9-22(20)28-16(3)14-29;1-15(2)30-23-10-7-17(11-18(23)12-26)25-28-14-24(31-25)21-6-4-5-20-19(21)8-9-22(20)27-13-16(3)29;2*1-16(2)30-23-10-7-17(13-18(23)14-26)25-28-15-24(31-25)21-6-4-5-20-19(21)8-9-22(20)27-11-12-29-3;2*1-4-12-27-22-10-9-19-20(22)6-5-7-21(19)24-15-28-25(30-24)17-8-11-23(29-16(2)3)18(13-17)14-26;1-14(2)30-21-10-7-15(11-16(21)12-25)23-26-13-22(31-23)19-6-4-5-18-17(19)8-9-20(18)27-24(28)29-3;1-14(2)30-21-9-6-15(10-16(21)11-25)24-27-12-22(31-24)19-5-3-4-18-17(19)7-8-20(18)26-13-23(28)29/h2*5-8,11,14,16,18,24,30H,3-4,9-10,12-13,17H2,1-2H3;5-8,11-12,14,16,22,28H,9-10,15H2,1-4H3;4-7,10-11,13,15,21,27H,8-9,14H2,1-3H3;4-7,10-11,13,15-16,22,28-29H,8-9,14H2,1-3H3;4-7,10-11,14-15,22,27H,8-9,13H2,1-3H3;2*4-7,10,13,15-16,22,27H,8-9,11-12H2,1-3H3;2*5-8,11,13,15-16,22,27H,4,9-10,12H2,1-3H3;4-7,10-11,13-14,20H,8-9H2,1-3H3,(H,27,28);3-6,9-10,12,14,20,26H,7-8,13H2,1-2H3,(H,28,29)/t2*24-;22-;21-;16-,22?;5*22-;2*20-/m100011101000/s1
InChIKeyACFQHRKZESGBHP-VJQFUVKLSA-N
XLogP63.99
TPSA901.87 Ų
H-Bond Donors14
H-Bond Acceptors71
Rotatable Bonds84
Heavy Atoms381
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005315.96
LogP ≤ 563.99
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1071

Analyze 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile with MolForge

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What is the IUPAC name of 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile?
The IUPAC name of 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile (CID 157069237) is 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile?
The canonical SMILES for 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile is CC(=O)CN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4N[C@H](C)CO)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)O)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCC3)s2)cc1C#N.CCCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CCCN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COC(=O)CN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COC(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.
What is the InChIKey of 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile?
The InChIKey is ACFQHRKZESGBHP-VJQFUVKLSA-N. The full InChI is InChI=1S/2C28H30N4O2S.C26H28N4O2S.C25H25N3O3S.C25H27N3O2S.C25H25N3O2S.2C25H27N3O2S.2C25H27N3OS.2C24H23N3O3S/c2*1-18(2)34-25-11-8-19(14-20(25)15-29)28-31-16-26(35-28)23-7-5-6-22-21(23)9-10-24(22)30-17-27(33)32-12-3-4-13-32;1-16(2)32-23-11-8-17(12-18(23)13-27)26-29-14-24(33-26)21-7-5-6-20-19(21)9-10-22(20)28-15-25(31)30(3)4;1-15(2)31-22-10-7-16(11-17(22)12-26)25-28-13-23(32-25)20-6-4-5-19-18(20)8-9-21(19)27-14-24(29)30-3;1-15(2)30-23-10-7-17(11-18(23)12-26)25-27-13-24(31-25)21-6-4-5-20-19(21)8-9-22(20)28-16(3)14-29;1-15(2)30-23-10-7-17(11-18(23)12-26)25-28-14-24(31-25)21-6-4-5-20-19(21)8-9-22(20)27-13-16(3)29;2*1-16(2)30-23-10-7-17(13-18(23)14-26)25-28-15-24(31-25)21-6-4-5-20-19(21)8-9-22(20)27-11-12-29-3;2*1-4-12-27-22-10-9-19-20(22)6-5-7-21(19)24-15-28-25(30-24)17-8-11-23(29-16(2)3)18(13-17)14-26;1-14(2)30-21-10-7-15(11-16(21)12-25)23-26-13-22(31-23)19-6-4-5-18-17(19)8-9-20(18)27-24(28)29-3;1-14(2)30-21-9-6-15(10-16(21)11-25)24-27-12-22(31-24)19-5-3-4-18-17(19)7-8-20(18)26-13-23(28)29/h2*5-8,11,14,16,18,24,30H,3-4,9-10,12-13,17H2,1-2H3;5-8,11-12,14,16,22,28H,9-10,15H2,1-4H3;4-7,10-11,13,15,21,27H,8-9,14H2,1-3H3;4-7,10-11,13,15-16,22,28-29H,8-9,14H2,1-3H3;4-7,10-11,14-15,22,27H,8-9,13H2,1-3H3;2*4-7,10,13,15-16,22,27H,8-9,11-12H2,1-3H3;2*5-8,11,13,15-16,22,27H,4,9-10,12H2,1-3H3;4-7,10-11,13-14,20H,8-9H2,1-3H3,(H,27,28);3-6,9-10,12,14,20,26H,7-8,13H2,1-2H3,(H,28,29)/t2*24-;22-;21-;16-,22?;5*22-;2*20-/m100011101000/s1.
What are the key properties of 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile?
2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile has a molecular weight of 5315.96 g/mol, XLogP of 63.99, 84 rotatable bonds, 14 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide;5-[5-[1-[[(2R)-1-hydroxypropan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-methoxyethylamino)-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]amino]acetate;methyl N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]benzonitrile is sourced from PubChem (CID 157069237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).