4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid

C38H26BrF2N5O6S4 — CID 157215847

About 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid

4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 157215847) has the molecular formula C38H26BrF2N5O6S4 and a molecular weight of 894.82 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid
• PubChem CID: 157215847
• Molecular Formula: C38H26BrF2N5O6S4
• Molecular Weight: 894.82 g/mol
• Exact Mass: 892.99
• IUPAC Name: 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid
• SMILES: Cc1ccc(-c2csc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Nc3scc(-c4ccc(Br)cc4)c3C(=O)O)cc12
• InChI: InChI=1S/C20H15BrN2O3S2.C18H11F2N3O3S2/c1-10-8-23(2)19-13(10)7-15(28-19)17(24)22-18-16(20(25)26)14(9-27-18)11-3-5-12(21)6-4-11;1-8-2-3-9(14(20)13(8)19)10-7-28-16(12(10)17(25)26)22-15(24)11-6-23-4-5-27-18(23)21-11/h3-9H,1-2H3,(H,22,24)(H,25,26);2-7H,1H3,(H,22,24)(H,25,26)
• InChIKey: ASKGROFTOMLBDH-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 155.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	894.82
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid?

The IUPAC name of 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid (CID 157215847) is 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid.

What is the SMILES notation for 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid?

The canonical SMILES for 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid is Cc1ccc(-c2csc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Nc3scc(-c4ccc(Br)cc4)c3C(=O)O)cc12.

What is the InChIKey of 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid?

The InChIKey is ASKGROFTOMLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3S2.C18H11F2N3O3S2/c1-10-8-23(2)19-13(10)7-15(28-19)17(24)22-18-16(20(25)26)14(9-27-18)11-3-5-12(21)6-4-11;1-8-2-3-9(14(20)13(8)19)10-7-28-16(12(10)17(25)26)22-15(24)11-6-23-4-5-27-18(23)21-11/h3-9H,1-2H3,(H,22,24)(H,25,26);2-7H,1H3,(H,22,24)(H,25,26).

What are the key properties of 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid?

4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 894.82 g/mol, XLogP of 10.65, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 157215847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).