4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

C121H68Cl4F8N10O20S10 — CID 160807193

About 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 160807193) has the molecular formula C121H68Cl4F8N10O20S10 and a molecular weight of 2596.39 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
• PubChem CID: 160807193
• Molecular Formula: C121H68Cl4F8N10O20S10
• Molecular Weight: 2596.39 g/mol
• Exact Mass: 2592.04
• IUPAC Name: 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
• SMILES: Cc1ccc(-c2csc(CC(=O)c3nc4c(F)cccc4s3)c2C(=O)O)c(F)c1F.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2s1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Cc1scc(-c2ccc(Cl)cc2F)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1
• InChI: InChI=1S/C21H12F3NO3S2.C21H13N3O5S.C20H10ClF2NO3S2.2C20H11ClFNO3S2.C19H11ClFN3O3S/c1-9-5-6-10(18(24)17(9)23)11-8-29-15(16(11)21(27)28)7-13(26)20-25-19-12(22)3-2-4-14(19)30-20;25-15-6-3-4-11-8-16(29-18(11)15)13-10-30-20(17(13)21(27)28)22-19(26)14-9-12-5-1-2-7-24(12)23-14;21-9-4-5-10(13(23)6-9)11-8-28-16(17(11)20(26)27)7-15(25)19-24-14-3-1-2-12(22)18(14)29-19;21-11-6-4-10(5-7-11)12-9-27-16(17(12)20(25)26)8-14(24)19-23-18-13(22)2-1-3-15(18)28-19;21-11-6-4-10(5-7-11)12-9-27-16(17(12)20(25)26)8-15(24)19-23-14-3-1-2-13(22)18(14)28-19;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14/h2-6,8H,7H2,1H3,(H,27,28);1-10,25H,(H,22,26)(H,27,28);1-6,8H,7H2,(H,26,27);2*1-7,9H,8H2,(H,25,26);1-9H,(H,22,25)(H,26,27)
• InChIKey: SDVPOIIYVHAKTN-UHFFFAOYSA-N
• XLogP: 33.11
• TPSA: 469.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2596.39
LogP ≤ 5	33.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

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-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?

The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (CID 160807193) is 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.

What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?

The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is Cc1ccc(-c2csc(CC(=O)c3nc4c(F)cccc4s3)c2C(=O)O)c(F)c1F.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2s1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Cc1scc(-c2ccc(Cl)cc2F)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.

What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?

The InChIKey is SDVPOIIYVHAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3NO3S2.C21H13N3O5S.C20H10ClF2NO3S2.2C20H11ClFNO3S2.C19H11ClFN3O3S/c1-9-5-6-10(18(24)17(9)23)11-8-29-15(16(11)21(27)28)7-13(26)20-25-19-12(22)3-2-4-14(19)30-20;25-15-6-3-4-11-8-16(29-18(11)15)13-10-30-20(17(13)21(27)28)22-19(26)14-9-12-5-1-2-7-24(12)23-14;21-9-4-5-10(13(23)6-9)11-8-28-16(17(11)20(26)27)7-15(25)19-24-14-3-1-2-12(22)18(14)29-19;21-11-6-4-10(5-7-11)12-9-27-16(17(12)20(25)26)8-14(24)19-23-18-13(22)2-1-3-15(18)28-19;21-11-6-4-10(5-7-11)12-9-27-16(17(12)20(25)26)8-15(24)19-23-14-3-1-2-13(22)18(14)28-19;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14/h2-6,8H,7H2,1H3,(H,27,28);1-10,25H,(H,22,26)(H,27,28);1-6,8H,7H2,(H,26,27);2*1-7,9H,8H2,(H,25,26);1-9H,(H,22,25)(H,26,27).

What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?

4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 2596.39 g/mol, XLogP of 33.11, 28 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 160807193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).