2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid

C147H105Br6Cl4N19O26S10 — CID 158171427

About 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid

2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 158171427) has the molecular formula C147H105Br6Cl4N19O26S10 and a molecular weight of 3495.47 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
• PubChem CID: 158171427
• Molecular Formula: C147H105Br6Cl4N19O26S10
• Molecular Weight: 3495.47 g/mol
• Exact Mass: 3484.85
• IUPAC Name: 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
• SMILES: Cc1cnsc1C(=O)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O.Cc1nc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cn1C.Cc1ncsc1C(=O)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O.Cn1ncc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1Cl.Cn1ncc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)OC(C)(C)C)c1Cl.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(O)c1c(Cc2nc(-c3ccccc3)no2)csc1-c1ccc(Br)cc1
• InChI: InChI=1S/C21H13BrN2O4S.C21H13ClN2O4S.C20H19BrClN3O3S.C20H13BrN2O3S.C17H14BrN3O3S.C16H11BrClN3O3S.C16H11BrN2O3S2.C16H11ClN2O3S2/c2*22-14-8-6-13(7-9-14)19-18(21(26)27)16(11-29-19)23-20(25)15-10-17(28-24-15)12-4-2-1-3-5-12;1-20(2,3)28-19(27)15-14(24-18(26)13-9-23-25(4)17(13)22)10-29-16(15)11-5-7-12(21)8-6-11;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;1-9-19-12(7-21(9)2)16(22)20-13-8-25-15(14(13)17(23)24)10-3-5-11(18)6-4-10;1-21-14(18)10(6-19-21)15(22)20-11-7-25-13(12(11)16(23)24)8-2-4-9(17)5-3-8;1-8-13(24-7-18-8)15(20)19-11-6-23-14(12(11)16(21)22)9-2-4-10(17)5-3-9;1-8-6-18-24-13(8)15(20)19-11-7-23-14(12(11)16(21)22)9-2-4-10(17)5-3-9/h2*1-11H,(H,23,25)(H,26,27);5-10H,1-4H3,(H,24,26);1-9,11H,10H2,(H,24,25);3-8H,1-2H3,(H,20,22)(H,23,24);2-7H,1H3,(H,20,22)(H,23,24);2*2-7H,1H3,(H,19,20)(H,21,22)
• InChIKey: FXMPODCZSJKAPD-UHFFFAOYSA-N
• XLogP: 41.11
• TPSA: 661.32 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3495.47
LogP ≤ 5	41.11
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?

The IUPAC name of 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 158171427) is 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?

The canonical SMILES for 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cnsc1C(=O)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O.Cc1nc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cn1C.Cc1ncsc1C(=O)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O.Cn1ncc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1Cl.Cn1ncc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)OC(C)(C)C)c1Cl.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(O)c1c(Cc2nc(-c3ccccc3)no2)csc1-c1ccc(Br)cc1.

What is the InChIKey of 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?

The InChIKey is FXMPODCZSJKAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2O4S.C21H13ClN2O4S.C20H19BrClN3O3S.C20H13BrN2O3S.C17H14BrN3O3S.C16H11BrClN3O3S.C16H11BrN2O3S2.C16H11ClN2O3S2/c2*22-14-8-6-13(7-9-14)19-18(21(26)27)16(11-29-19)23-20(25)15-10-17(28-24-15)12-4-2-1-3-5-12;1-20(2,3)28-19(27)15-14(24-18(26)13-9-23-25(4)17(13)22)10-29-16(15)11-5-7-12(21)8-6-11;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;1-9-19-12(7-21(9)2)16(22)20-13-8-25-15(14(13)17(23)24)10-3-5-11(18)6-4-10;1-21-14(18)10(6-19-21)15(22)20-11-7-25-13(12(11)16(23)24)8-2-4-9(17)5-3-8;1-8-13(24-7-18-8)15(20)19-11-6-23-14(12(11)16(21)22)9-2-4-10(17)5-3-9;1-8-6-18-24-13(8)15(20)19-11-7-23-14(12(11)16(21)22)9-2-4-10(17)5-3-9/h2*1-11H,(H,23,25)(H,26,27);5-10H,1-4H3,(H,24,26);1-9,11H,10H2,(H,24,25);3-8H,1-2H3,(H,20,22)(H,23,24);2-7H,1H3,(H,20,22)(H,23,24);2*2-7H,1H3,(H,19,20)(H,21,22).

What are the key properties of 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?

2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 3495.47 g/mol, XLogP of 41.11, 35 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 158171427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).