2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid

C136H74BrCl4F8N15O23S13 — CID 161030289

IUPAC2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)c3nc4c(F)cccc4s3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2ccccc2s1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Nc1scc(-c2ccc(Cl)cc2F)c1C(=O)O)c1nc2cccc(F)c2s1
InChIInChI=1S/C21H12N2O5S2.C20H11F3N2O3S2.C19H11BrN2O3S2.C19H9ClF2N2O3S2.C19H11ClFN3O3S.2C19H10ClFN2O3S2/c24-13-6-3-4-10-8-14(28-17(10)13)11-9-29-19(16(11)21(26)27)23-18(25)20-22-12-5-1-2-7-15(12)30-20;1-8-5-6-9(15(23)14(8)22)10-7-29-18(13(10)20(27)28)25-17(26)19-24-16-11(21)3-2-4-12(16)30-19;20-11-7-5-10(6-8-11)12-9-26-17(15(12)19(24)25)22-16(23)18-21-13-3-1-2-4-14(13)27-18;20-8-4-5-9(12(22)6-8)10-7-28-17(14(10)19(26)27)24-16(25)18-23-13-3-1-2-11(21)15(13)29-18;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;20-10-6-4-9(5-7-10)11-8-27-17(14(11)19(25)26)23-16(24)18-22-15-12(21)2-1-3-13(15)28-18;20-10-6-4-9(5-7-10)11-8-27-17(14(11)19(25)26)23-16(24)18-22-13-3-1-2-12(21)15(13)28-18/h1-9,24H,(H,23,25)(H,26,27);2-7H,1H3,(H,25,26)(H,27,28);1-9H,(H,22,23)(H,24,25);1-7H,(H,24,25)(H,26,27);1-9H,(H,22,25)(H,26,27);2*1-8H,(H,23,24)(H,25,26)
InChIKeyTZNFPZBUWMZLLU-UHFFFAOYSA-N
MW3076.74 g/mol
LogP39.11
Rot. Bonds28

About 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid

2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 161030289) has the molecular formula C136H74BrCl4F8N15O23S13 and a molecular weight of 3076.74 g/mol. Its IUPAC name is 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID161030289
Molecular FormulaC136H74BrCl4F8N15O23S13
Molecular Weight3076.74 g/mol
Exact Mass3070.93
IUPAC Name2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)c3nc4c(F)cccc4s3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2ccccc2s1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Nc1scc(-c2ccc(Cl)cc2F)c1C(=O)O)c1nc2cccc(F)c2s1
InChIInChI=1S/C21H12N2O5S2.C20H11F3N2O3S2.C19H11BrN2O3S2.C19H9ClF2N2O3S2.C19H11ClFN3O3S.2C19H10ClFN2O3S2/c24-13-6-3-4-10-8-14(28-17(10)13)11-9-29-19(16(11)21(26)27)23-18(25)20-22-12-5-1-2-7-15(12)30-20;1-8-5-6-9(15(23)14(8)22)10-7-29-18(13(10)20(27)28)25-17(26)19-24-16-11(21)3-2-4-12(16)30-19;20-11-7-5-10(6-8-11)12-9-26-17(15(12)19(24)25)22-16(23)18-21-13-3-1-2-4-14(13)27-18;20-8-4-5-9(12(22)6-8)10-7-28-17(14(10)19(26)27)24-16(25)18-23-13-3-1-2-11(21)15(13)29-18;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;20-10-6-4-9(5-7-10)11-8-27-17(14(11)19(25)26)23-16(24)18-22-15-12(21)2-1-3-13(15)28-18;20-10-6-4-9(5-7-10)11-8-27-17(14(11)19(25)26)23-16(24)18-22-13-3-1-2-12(21)15(13)28-18/h1-9,24H,(H,23,25)(H,26,27);2-7H,1H3,(H,25,26)(H,27,28);1-9H,(H,22,23)(H,24,25);1-7H,(H,24,25)(H,26,27);1-9H,(H,22,25)(H,26,27);2*1-8H,(H,23,24)(H,25,26)
InChIKeyTZNFPZBUWMZLLU-UHFFFAOYSA-N
XLogP39.11
TPSA592.81 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.74
LogP ≤ 539.11
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 161030289) is 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid is Cc1ccc(-c2csc(NC(=O)c3nc4c(F)cccc4s3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2ccccc2s1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2s1.O=C(Nc1scc(-c2ccc(Cl)cc2F)c1C(=O)O)c1nc2cccc(F)c2s1.
What is the InChIKey of 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is TZNFPZBUWMZLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O5S2.C20H11F3N2O3S2.C19H11BrN2O3S2.C19H9ClF2N2O3S2.C19H11ClFN3O3S.2C19H10ClFN2O3S2/c24-13-6-3-4-10-8-14(28-17(10)13)11-9-29-19(16(11)21(26)27)23-18(25)20-22-12-5-1-2-7-15(12)30-20;1-8-5-6-9(15(23)14(8)22)10-7-29-18(13(10)20(27)28)25-17(26)19-24-16-11(21)3-2-4-12(16)30-19;20-11-7-5-10(6-8-11)12-9-26-17(15(12)19(24)25)22-16(23)18-21-13-3-1-2-4-14(13)27-18;20-8-4-5-9(12(22)6-8)10-7-28-17(14(10)19(26)27)24-16(25)18-23-13-3-1-2-11(21)15(13)29-18;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;20-10-6-4-9(5-7-10)11-8-27-17(14(11)19(25)26)23-16(24)18-22-15-12(21)2-1-3-13(15)28-18;20-10-6-4-9(5-7-10)11-8-27-17(14(11)19(25)26)23-16(24)18-22-13-3-1-2-12(21)15(13)28-18/h1-9,24H,(H,23,25)(H,26,27);2-7H,1H3,(H,25,26)(H,27,28);1-9H,(H,22,23)(H,24,25);1-7H,(H,24,25)(H,26,27);1-9H,(H,22,25)(H,26,27);2*1-8H,(H,23,24)(H,25,26).
What are the key properties of 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid?
2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 3076.74 g/mol, XLogP of 39.11, 28 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzothiazole-2-carbonyl)amino]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-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 161030289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).