2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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

C126H90Br5Cl4N17O23S9 — CID 160650725

About 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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 160650725) has the molecular formula C126H90Br5Cl4N17O23S9 and a molecular weight of 3040.14 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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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: 160650725
• Molecular Formula: C126H90Br5Cl4N17O23S9
• Molecular Weight: 3040.14 g/mol
• Exact Mass: 3030.86
• IUPAC Name: 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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(Br)cc2)c1C(=O)O.Cc1cnsc1C(=O)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1cnc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.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
• InChI: InChI=1S/C21H13BrN2O4S.C21H13ClN2O4S.C20H19BrClN3O3S.C16H11BrClN3O3S.C16H12BrN3O3S.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;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;1-20-6-11(18-8-20)15(21)19-12-7-24-14(13(12)16(22)23)9-2-4-10(17)5-3-9;2*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);2-7H,1H3,(H,20,22)(H,23,24);2-8H,1H3,(H,19,21)(H,22,23);2*2-7H,1H3,(H,19,20)(H,21,22)
• InChIKey: RKJLGVILKRUVQP-UHFFFAOYSA-N
• XLogP: 35.28
• TPSA: 585.10 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3040.14
LogP ≤ 5	35.28
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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 160650725) is 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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(Br)cc2)c1C(=O)O.Cc1cnsc1C(=O)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1cnc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.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.

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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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 RKJLGVILKRUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2O4S.C21H13ClN2O4S.C20H19BrClN3O3S.C16H11BrClN3O3S.C16H12BrN3O3S.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;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;1-20-6-11(18-8-20)15(21)19-12-7-24-14(13(12)16(22)23)9-2-4-10(17)5-3-9;2*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);2-7H,1H3,(H,20,22)(H,23,24);2-8H,1H3,(H,19,21)(H,22,23);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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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 3040.14 g/mol, XLogP of 35.28, 30 rotatable bonds, 13 hydrogen bond donors, and 36 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-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]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 160650725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).