2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid

C139H98BrCl6N11O23S9 — CID 161450420

About 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid

2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid (PubChem CID 161450420) has the molecular formula C139H98BrCl6N11O23S9 and a molecular weight of 2871.59 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid
• PubChem CID: 161450420
• Molecular Formula: C139H98BrCl6N11O23S9
• Molecular Weight: 2871.59 g/mol
• Exact Mass: 2865.16
• IUPAC Name: 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid
• SMILES: Cc1c(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)ncn1-c1ccccc1.Cc1coc(C)c1C(=O)Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1nc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1c[nH]cc1-c1ccccc1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.O=C(O)c1c(Cc2nc(-c3ccccc3)no2)csc1-c1ccc(Br)cc1
• InChI: InChI=1S/C23H17ClN2O3S.C23H16ClNO3S.C20H13BrN2O3S.C20H14ClN3O4S.C19H15ClO4S.C18H13ClN2O3S2.C16H10ClNO3S2/c1-14-21(25-13-26(14)18-5-3-2-4-6-18)19(27)11-16-12-30-22(20(16)23(28)29)15-7-9-17(24)10-8-15;24-17-8-6-15(7-9-17)22-21(23(27)28)16(13-29-22)10-20(26)19-12-25-11-18(19)14-4-2-1-3-5-14;21-15-8-6-12(7-9-15)18-17(20(24)25)14(11-27-18)10-16-22-19(23-26-16)13-4-2-1-3-5-13;1-24-15(16-3-2-8-28-16)9-13(23-24)19(25)22-14-10-29-18(17(14)20(26)27)11-4-6-12(21)7-5-11;1-10-8-24-11(2)16(10)15(21)7-13-9-25-18(17(13)19(22)23)12-3-5-14(20)6-4-12;19-11-5-3-10(4-6-11)15-14(18(23)24)13(8-25-15)20-16(22)17-21-12(7-26-17)9-1-2-9;17-11-3-1-9(2-4-11)15-14(16(20)21)10(6-23-15)5-13(19)12-7-22-8-18-12/h2-10,12-13H,11H2,1H3,(H,28,29);1-9,11-13,25H,10H2,(H,27,28);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);3-9H,1-2H2,(H,20,22)(H,23,24);1-4,6-8H,5H2,(H,20,21)
• InChIKey: WALNVUBKGCIZNT-UHFFFAOYSA-N
• XLogP: 37.81
• TPSA: 529.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.59
LogP ≤ 5	37.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid?

The IUPAC name of 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid (CID 161450420) is 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid?

The canonical SMILES for 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid is Cc1c(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)ncn1-c1ccccc1.Cc1coc(C)c1C(=O)Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1nc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1c[nH]cc1-c1ccccc1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.O=C(O)c1c(Cc2nc(-c3ccccc3)no2)csc1-c1ccc(Br)cc1.

What is the InChIKey of 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid?

The InChIKey is WALNVUBKGCIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S.C23H16ClNO3S.C20H13BrN2O3S.C20H14ClN3O4S.C19H15ClO4S.C18H13ClN2O3S2.C16H10ClNO3S2/c1-14-21(25-13-26(14)18-5-3-2-4-6-18)19(27)11-16-12-30-22(20(16)23(28)29)15-7-9-17(24)10-8-15;24-17-8-6-15(7-9-17)22-21(23(27)28)16(13-29-22)10-20(26)19-12-25-11-18(19)14-4-2-1-3-5-14;21-15-8-6-12(7-9-15)18-17(20(24)25)14(11-27-18)10-16-22-19(23-26-16)13-4-2-1-3-5-13;1-24-15(16-3-2-8-28-16)9-13(23-24)19(25)22-14-10-29-18(17(14)20(26)27)11-4-6-12(21)7-5-11;1-10-8-24-11(2)16(10)15(21)7-13-9-25-18(17(13)19(22)23)12-3-5-14(20)6-4-12;19-11-5-3-10(4-6-11)15-14(18(23)24)13(8-25-15)20-16(22)17-21-12(7-26-17)9-1-2-9;17-11-3-1-9(2-4-11)15-14(16(20)21)10(6-23-15)5-13(19)12-7-22-8-18-12/h2-10,12-13H,11H2,1H3,(H,28,29);1-9,11-13,25H,10H2,(H,27,28);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);3-9H,1-2H2,(H,20,22)(H,23,24);1-4,6-8H,5H2,(H,20,21).

What are the key properties of 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid?

2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid has a molecular weight of 2871.59 g/mol, XLogP of 37.81, 37 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 161450420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).