2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid

C76H54Cl2F2N10O12S8 — CID 123195373

About 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 123195373) has the molecular formula C76H54Cl2F2N10O12S8 and a molecular weight of 1664.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
• PubChem CID: 123195373
• Molecular Formula: C76H54Cl2F2N10O12S8
• Molecular Weight: 1664.76 g/mol
• Exact Mass: 1662.10
• IUPAC Name: 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
• SMILES: Cc1ccc(-c2scc(NC(=O)c3cc4c(C)nn(C)c4s3)c2C(=O)O)cc1.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccsc2n1
• InChI: InChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C18H11F2N3O3S2.C17H10ClN3O3S2/c1-11-9-23(2)20-15(11)8-17(28-20)16(24)7-13-10-27-19(18(13)21(25)26)12-3-5-14(22)6-4-12;1-10-4-6-12(7-5-10)17-16(20(25)26)14(9-27-17)21-18(24)15-8-13-11(2)22-23(3)19(13)28-15;1-8-2-3-9(14(20)13(8)19)15-12(17(25)26)11(7-28-15)21-16(24)10-6-23-4-5-27-18(23)22-10;18-10-3-1-9(2-4-10)14-13(16(23)24)12(8-26-14)19-15(22)11-7-21-5-6-25-17(21)20-11/h3-6,8-10H,7H2,1-2H3,(H,25,26);4-9H,1-3H3,(H,21,24)(H,25,26);2-7H,1H3,(H,21,24)(H,25,26);1-8H,(H,19,22)(H,23,24)
• InChIKey: AUKMNGVNWVBZMS-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 310.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1664.76
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?

The IUPAC name of 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid (CID 123195373) is 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?

The canonical SMILES for 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3cc4c(C)nn(C)c4s3)c2C(=O)O)cc1.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccsc2n1.

What is the InChIKey of 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?

The InChIKey is AUKMNGVNWVBZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C18H11F2N3O3S2.C17H10ClN3O3S2/c1-11-9-23(2)20-15(11)8-17(28-20)16(24)7-13-10-27-19(18(13)21(25)26)12-3-5-14(22)6-4-12;1-10-4-6-12(7-5-10)17-16(20(25)26)14(9-27-17)21-18(24)15-8-13-11(2)22-23(3)19(13)28-15;1-8-2-3-9(14(20)13(8)19)15-12(17(25)26)11(7-28-15)21-16(24)10-6-23-4-5-27-18(23)22-10;18-10-3-1-9(2-4-10)14-13(16(23)24)12(8-26-14)19-15(22)11-7-21-5-6-25-17(21)20-11/h3-6,8-10H,7H2,1-2H3,(H,25,26);4-9H,1-3H3,(H,21,24)(H,25,26);2-7H,1H3,(H,21,24)(H,25,26);1-8H,(H,19,22)(H,23,24).

What are the key properties of 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?

2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 1664.76 g/mol, XLogP of 20.37, 17 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 123195373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).