About 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 162060148) has the molecular formula C137H94BrCl6N11O24S9
and a molecular weight of 2859.54 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 162060148) is 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)C1=CCN=C1c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is YZSKXFZPWWPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3S.C21H13ClN2O4S.C20H13BrN2O3S.C20H14ClN3O4S.C19H15ClO4S.C18H13ClN2O3S2.C16H10ClNO3S2/c24-16-8-6-14(7-9-16)18-13-29-20(21(18)23(27)28)12-19(26)17-10-11-25-22(17)15-4-2-1-3-5-15;22-14-8-6-12(7-9-14)15-11-29-20(18(15)21(26)27)23-19(25)16-10-17(28-24-16)13-4-2-1-3-5-13;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h1-10,13H,11-12H2,(H,27,28);1-11H,(H,23,25)(H,26,27);1-9,11H,10H2,(H,24,25);2-10H,1H3,(H,22,25)(H,26,27);3-6,8-9H,7H2,1-2H3,(H,22,23);3-8,10H,1-2H2,(H,21,22)(H,23,24);1-4,6-8H,5H2,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2859.54 g/mol, XLogP of 36.91, 36 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 162060148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).