4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid

C157H115BrCl6N14O26S10 — CID 161208705

IUPAC4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1c(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)ncn1-c1ccccc1.Cc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1.Cc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1c[nH]cc1-c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H17ClN2O3S.C23H16ClNO3S.C20H13BrN2O3S.C20H14ClN3O4S.C19H15ClO4S.C18H13ClN2O3S2.C18H17N3O3S.C16H10ClNO3S2/c1-14-22(25-13-26(14)17-5-3-2-4-6-17)19(27)11-20-21(23(28)29)18(12-30-20)15-7-9-16(24)10-8-15;24-16-8-6-15(7-9-16)19-13-29-21(22(19)23(27)28)10-20(26)18-12-25-11-17(18)14-4-2-1-3-5-14;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h2-10,12-13H,11H2,1H3,(H,28,29);1-9,11-13,25H,10H2,(H,27,28);1-9,11H,10H2,(H,24,25);2-10H,1H3,(H,22,25)(H,26,27);3-6,8-9H,7H2,1-2H3,(H,22,23);3-8,10H,1-2H2,(H,21,22)(H,23,24);4-9H,1-3H3,(H,19,22)(H,23,24);1-4,6-8H,5H2,(H,20,21)
InChIKeyUVYICGFIIRXTHP-UHFFFAOYSA-N
MW3227.01 g/mol
LogP41.52
Rot. Bonds41

About 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid

4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 161208705) has the molecular formula C157H115BrCl6N14O26S10 and a molecular weight of 3227.01 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
PubChem CID161208705
Molecular FormulaC157H115BrCl6N14O26S10
Molecular Weight3227.01 g/mol
Exact Mass3220.26
IUPAC Name4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1c(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)ncn1-c1ccccc1.Cc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1.Cc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1c[nH]cc1-c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H17ClN2O3S.C23H16ClNO3S.C20H13BrN2O3S.C20H14ClN3O4S.C19H15ClO4S.C18H13ClN2O3S2.C18H17N3O3S.C16H10ClNO3S2/c1-14-22(25-13-26(14)17-5-3-2-4-6-17)19(27)11-20-21(23(28)29)18(12-30-20)15-7-9-16(24)10-8-15;24-16-8-6-15(7-9-16)19-13-29-21(22(19)23(27)28)10-20(26)18-12-25-11-17(18)14-4-2-1-3-5-14;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h2-10,12-13H,11H2,1H3,(H,28,29);1-9,11-13,25H,10H2,(H,27,28);1-9,11H,10H2,(H,24,25);2-10H,1H3,(H,22,25)(H,26,27);3-6,8-9H,7H2,1-2H3,(H,22,23);3-8,10H,1-2H2,(H,21,22)(H,23,24);4-9H,1-3H3,(H,19,22)(H,23,24);1-4,6-8H,5H2,(H,20,21)
InChIKeyUVYICGFIIRXTHP-UHFFFAOYSA-N
XLogP41.52
TPSA614.21 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds41
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003227.01
LogP ≤ 541.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 4-(4-bromophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate;4-(4-chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 157585647
2-(4-chlorophenyl)-4-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenyl-1H-pyrazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(1,5-dimethylpyrazol-3-yl)ethenylamino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 157629252
2-(4-Bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 158171427
Tert-butyl 2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 159721859
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 159764611
4-(4-Chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 161438462
2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid
CID 161450420
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 162060148

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid (CID 161208705) is 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid is Cc1c(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)ncn1-c1ccccc1.Cc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1.Cc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1c[nH]cc1-c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is UVYICGFIIRXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S.C23H16ClNO3S.C20H13BrN2O3S.C20H14ClN3O4S.C19H15ClO4S.C18H13ClN2O3S2.C18H17N3O3S.C16H10ClNO3S2/c1-14-22(25-13-26(14)17-5-3-2-4-6-17)19(27)11-20-21(23(28)29)18(12-30-20)15-7-9-16(24)10-8-15;24-16-8-6-15(7-9-16)19-13-29-21(22(19)23(27)28)10-20(26)18-12-25-11-17(18)14-4-2-1-3-5-14;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h2-10,12-13H,11H2,1H3,(H,28,29);1-9,11-13,25H,10H2,(H,27,28);1-9,11H,10H2,(H,24,25);2-10H,1H3,(H,22,25)(H,26,27);3-6,8-9H,7H2,1-2H3,(H,22,23);3-8,10H,1-2H2,(H,21,22)(H,23,24);4-9H,1-3H3,(H,19,22)(H,23,24);1-4,6-8H,5H2,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 3227.01 g/mol, XLogP of 41.52, 41 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 161208705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).