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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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

C93H63Cl3F2N12O15S11 — CID 160802656

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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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 160802656) has the molecular formula C93H63Cl3F2N12O15S11 and a molecular weight of 2085.69 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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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: 160802656
• Molecular Formula: C93H63Cl3F2N12O15S11
• Molecular Weight: 2085.69 g/mol
• Exact Mass: 2082.05
• 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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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.O=C(O)c1c(NC(=O)c2csc3cnsc23)csc1-c1ccc(Cl)cc1
• InChI: InChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C18H11F2N3O3S2.C17H10ClN3O3S2.C17H9ClN2O3S3/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;18-9-3-1-8(2-4-9)14-13(17(22)23)11(7-25-14)20-16(21)10-6-24-12-5-19-26-15(10)12/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);1-7H,(H,20,21)(H,22,23)
• InChIKey: SDHBOJARWBKJBK-UHFFFAOYSA-N
• XLogP: 26.06
• TPSA: 390.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.69
LogP ≤ 5	26.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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 160802656) 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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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.O=C(O)c1c(NC(=O)c2csc3cnsc23)csc1-c1ccc(Cl)cc1.

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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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 SDHBOJARWBKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C18H11F2N3O3S2.C17H10ClN3O3S2.C17H9ClN2O3S3/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;18-9-3-1-8(2-4-9)14-13(17(22)23)11(7-25-14)20-16(21)10-6-24-12-5-19-26-15(10)12/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);1-7H,(H,20,21)(H,22,23).

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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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 2085.69 g/mol, XLogP of 26.06, 21 rotatable bonds, 9 hydrogen bond donors, and 29 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-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]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 160802656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).