2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid

C171H103F2N19O32S12 — CID 157365319

About 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid

2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid (PubChem CID 157365319) has the molecular formula C171H103F2N19O32S12 and a molecular weight of 3358.61 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid
• PubChem CID: 157365319
• Molecular Formula: C171H103F2N19O32S12
• Molecular Weight: 3358.61 g/mol
• Exact Mass: 3355.36
• IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid
• SMILES: Cn1ccc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)c3C(=O)O)ccc21.O=C(Nc1scc(-c2c[nH]c3ccccc23)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cc3ccccc3s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccc3nccn3c2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc3scnc3c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3n2C(F)F)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3s2)c1C(=O)O)c1nc2ccccc2o1
• InChI: InChI=1S/C23H16N2O4S.C22H13F2N3O4S.C22H14N2O4S.C22H13NO4S2.2C21H12N2O4S2.C20H12N4O4S.C20H11N3O4S2/c1-25-9-8-14-10-13(6-7-17(14)25)16-12-30-22(20(16)23(27)28)24-21(26)19-11-15-4-2-3-5-18(15)29-19;23-22(24)27-14-7-3-2-6-13(14)25-18(27)12-10-32-20(17(12)21(29)30)26-19(28)16-9-11-5-1-4-8-15(11)31-16;25-20(18-9-12-5-1-4-8-17(12)28-18)24-21-19(22(26)27)15(11-29-21)14-10-23-16-7-3-2-6-13(14)16;24-20(16-9-12-5-1-3-7-15(12)27-16)23-21-19(22(25)26)14(11-28-21)18-10-13-6-2-4-8-17(13)29-18;24-18(15-9-11-5-1-3-7-14(11)27-15)23-20-17(21(25)26)12(10-28-20)19-22-13-6-2-4-8-16(13)29-19;24-19(16-8-12-3-1-2-4-15(12)27-16)23-20-18(21(25)26)13(9-28-20)11-5-6-17-14(7-11)22-10-29-17;25-17(18-22-13-3-1-2-4-14(13)28-18)23-19-16(20(26)27)12(10-29-19)11-5-6-15-21-7-8-24(15)9-11;24-16(17-21-11-5-1-3-7-13(11)27-17)23-19-15(20(25)26)10(9-28-19)18-22-12-6-2-4-8-14(12)29-18/h2-12H,1H3,(H,24,26)(H,27,28);1-10,22H,(H,26,28)(H,29,30);1-11,23H,(H,24,25)(H,26,27);1-11H,(H,23,24)(H,25,26);2*1-10H,(H,23,24)(H,25,26);1-10H,(H,23,25)(H,26,27);1-9H,(H,23,24)(H,25,26)
• InChIKey: BJCMVMLXXQNYMT-UHFFFAOYSA-N
• XLogP: 44.09
• TPSA: 756.61 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3358.61
LogP ≤ 5	44.09
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid?

The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid (CID 157365319) is 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid.

What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid?

The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid is Cn1ccc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)c3C(=O)O)ccc21.O=C(Nc1scc(-c2c[nH]c3ccccc23)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cc3ccccc3s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccc3nccn3c2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc3scnc3c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3n2C(F)F)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3s2)c1C(=O)O)c1nc2ccccc2o1.

What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid?

The InChIKey is BJCMVMLXXQNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S.C22H13F2N3O4S.C22H14N2O4S.C22H13NO4S2.2C21H12N2O4S2.C20H12N4O4S.C20H11N3O4S2/c1-25-9-8-14-10-13(6-7-17(14)25)16-12-30-22(20(16)23(27)28)24-21(26)19-11-15-4-2-3-5-18(15)29-19;23-22(24)27-14-7-3-2-6-13(14)25-18(27)12-10-32-20(17(12)21(29)30)26-19(28)16-9-11-5-1-4-8-15(11)31-16;25-20(18-9-12-5-1-4-8-17(12)28-18)24-21-19(22(26)27)15(11-29-21)14-10-23-16-7-3-2-6-13(14)16;24-20(16-9-12-5-1-3-7-15(12)27-16)23-21-19(22(25)26)14(11-28-21)18-10-13-6-2-4-8-17(13)29-18;24-18(15-9-11-5-1-3-7-14(11)27-15)23-20-17(21(25)26)12(10-28-20)19-22-13-6-2-4-8-16(13)29-19;24-19(16-8-12-3-1-2-4-15(12)27-16)23-20-18(21(25)26)13(9-28-20)11-5-6-17-14(7-11)22-10-29-17;25-17(18-22-13-3-1-2-4-14(13)28-18)23-19-16(20(26)27)12(10-29-19)11-5-6-15-21-7-8-24(15)9-11;24-16(17-21-11-5-1-3-7-13(11)27-17)23-19-15(20(25)26)10(9-28-19)18-22-12-6-2-4-8-14(12)29-18/h2-12H,1H3,(H,24,26)(H,27,28);1-10,22H,(H,26,28)(H,29,30);1-11,23H,(H,24,25)(H,26,27);1-11H,(H,23,24)(H,25,26);2*1-10H,(H,23,24)(H,25,26);1-10H,(H,23,25)(H,26,27);1-9H,(H,23,24)(H,25,26).

What are the key properties of 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid?

2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid has a molecular weight of 3358.61 g/mol, XLogP of 44.09, 33 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 157365319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).