About [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione
[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione (PubChem CID 159151061) has the molecular formula C192H228N18O24S20
and a molecular weight of 3813.38 g/mol. Its IUPAC name is [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione.
Frequently Asked Questions
What is the IUPAC name of [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione?
The IUPAC name of [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione (CID 159151061) is [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione.
What is the SMILES notation for [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione?
The canonical SMILES for [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione is CC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2csc(C)n2)n1)C(C)C.CC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2cscn2)n1)C(C)C.CCC(=O)CCCCCC(=O)c1csc(-c2cccs2)n1.CCC(=O)CCCCCC(=O)c1nc(-c2nc(-c3ccccc3)cs2)sc1C1CC1.CCC(=O)CCCCCC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1.CCC(=O)CCCCCCCC(=O)c1nc(-c2nc3c(s2)CCCC3)sc1C1CC1.CCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2csc(C)n2)n1)C(C)C.CCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2cscn2)n1)C(C)C.CNC(=O)c1ccc(CCC(=O)c2nc(-c3nc4c(s3)CCCC4)sc2C2CC2)cc1.
What is the InChIKey of [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione?
The InChIKey is KJHGSARTCNHLLV-PKRNPSEVSA-N. The full InChI is InChI=1S/C24H25N3O2S2.2C24H26N2O2S2.C24H32N2O2S2.C21H26N2O4S3.C20H24N2O4S3.C20H26N2O3S2.C19H24N2O3S2.C16H19NO2S2/c1-25-22(29)16-9-6-14(7-10-16)8-13-18(28)20-21(15-11-12-15)31-24(27-20)23-26-17-4-2-3-5-19(17)30-23;1-2-18(27)11-7-4-8-12-20(28)21-22(17-13-14-17)30-24(26-21)23-25-19(15-29-23)16-9-5-3-6-10-16;1-2-18(27)11-7-4-8-12-19(28)21-22(17-13-14-17)30-24(26-21)23-25-15-20(29-23)16-9-5-3-6-10-16;1-2-17(27)10-6-4-3-5-7-12-19(28)21-22(16-14-15-16)30-24(26-21)23-25-18-11-8-9-13-20(18)29-23;1-13(2)16(21(26)27-8-6-5-7-9-28-15(4)24)10-19(25)17-11-30-20(23-17)18-12-29-14(3)22-18;1-13(2)15(20(25)26-7-5-4-6-8-28-14(3)23)9-18(24)16-11-29-19(22-16)17-10-27-12-21-17;1-5-6-7-8-9-25-20(24)15(13(2)3)10-18(23)16-11-27-19(22-16)17-12-26-14(4)21-17;1-4-5-6-7-8-24-19(23)14(13(2)3)9-17(22)15-11-26-18(21-15)16-10-25-12-20-16;1-2-12(18)7-4-3-5-8-14(19)13-11-21-16(17-13)15-9-6-10-20-15/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,25,29);2*3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3;16H,2-15H2,1H3;5-6,11-13,16H,7-10H2,1-4H3;4-5,10-13,15H,6-9H2,1-3H3;7-8,11-13,15H,5-6,9-10H2,1-4H3;6-7,10-14H,4-5,8-9H2,1-3H3;6,9-11H,2-5,7-8H2,1H3/b;;;;6-5+;5-4+;8-7+;7-6+;/t;;;;16-;2*15-;14-;/m....0000./s1.
What are the key properties of [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione?
[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione has a molecular weight of 3813.38 g/mol, XLogP of 51.34, 92 rotatable bonds, 1 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione is sourced from PubChem (CID 159151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).