2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C165H172N36O52S9 — CID 164951623

About 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 164951623) has the molecular formula C165H172N36O52S9 and a molecular weight of 3779.99 g/mol. Its IUPAC name is 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 164951623
• Molecular Formula: C165H172N36O52S9
• Molecular Weight: 3779.99 g/mol
• Exact Mass: 3776.94
• IUPAC Name: 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1sc(NC(=O)C(/N=N/c2c(C)cccc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2cc(C)ccc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccc(C(=O)O)cc2)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccc(C)cc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2cccc(C(=O)O)c2)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2C(=O)OC)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2CO)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2O)=C(C)O)nc1C
• InChI: InChI=1S/4C19H20N4O6S.3C18H18N4O6S.C18H20N4O5S.C17H18N4O5S/c1-5-29-18(28)15-10(3)20-19(30-15)21-16(25)14(11(4)24)23-22-13-7-6-9(2)8-12(13)17(26)27;1-5-29-18(28)15-10(3)20-19(30-15)21-16(25)14(11(4)24)23-22-13-8-9(2)6-7-12(13)17(26)27;1-5-29-18(27)15-10(2)20-19(30-15)21-16(25)14(11(3)24)23-22-13-9-7-6-8-12(13)17(26)28-4;1-5-29-18(28)15-10(3)20-19(30-15)21-16(25)14(11(4)24)23-22-13-9(2)7-6-8-12(13)17(26)27;1-4-28-17(27)14-9(2)19-18(29-14)20-15(24)13(10(3)23)22-21-12-7-5-11(6-8-12)16(25)26;1-4-28-17(27)14-9(2)19-18(29-14)20-15(24)13(10(3)23)22-21-12-7-5-6-11(8-12)16(25)26;1-4-28-17(27)14-9(2)19-18(29-14)20-15(24)13(10(3)23)22-21-12-8-6-5-7-11(12)16(25)26;1-4-27-17(26)15-10(2)19-18(28-15)20-16(25)14(11(3)24)22-21-13-8-6-5-7-12(13)9-23;1-4-26-16(25)14-9(2)18-17(27-14)19-15(24)13(10(3)22)21-20-11-7-5-6-8-12(11)23/h2*6-8,24H,5H2,1-4H3,(H,26,27)(H,20,21,25);6-9,24H,5H2,1-4H3,(H,20,21,25);6-8,24H,5H2,1-4H3,(H,26,27)(H,20,21,25);3*5-8,23H,4H2,1-3H3,(H,25,26)(H,19,20,24);5-8,23-24H,4,9H2,1-3H3,(H,19,20,25);5-8,22-23H,4H2,1-3H3,(H,18,19,24)/b4*14-11?,23-22+;3*13-10?,22-21+;14-11?,22-21+;13-10?,21-20+
• InChIKey: AVRVBCFGJPJLIG-RMDTYYLOSA-N
• XLogP: 35.36
• TPSA: 1309.72 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 82
• Rotatable Bonds: 62
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3779.99
LogP ≤ 5	35.36
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	82

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 164951623) is 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(/N=N/c2c(C)cccc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2cc(C)ccc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccc(C(=O)O)cc2)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccc(C)cc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2cccc(C(=O)O)c2)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2C(=O)O)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2C(=O)OC)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2CO)=C(C)O)nc1C.CCOC(=O)c1sc(NC(=O)C(/N=N/c2ccccc2O)=C(C)O)nc1C.

What is the InChIKey of 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is AVRVBCFGJPJLIG-RMDTYYLOSA-N. The full InChI is InChI=1S/4C19H20N4O6S.3C18H18N4O6S.C18H20N4O5S.C17H18N4O5S/c1-5-29-18(28)15-10(3)20-19(30-15)21-16(25)14(11(4)24)23-22-13-7-6-9(2)8-12(13)17(26)27;1-5-29-18(28)15-10(3)20-19(30-15)21-16(25)14(11(4)24)23-22-13-8-9(2)6-7-12(13)17(26)27;1-5-29-18(27)15-10(2)20-19(30-15)21-16(25)14(11(3)24)23-22-13-9-7-6-8-12(13)17(26)28-4;1-5-29-18(28)15-10(3)20-19(30-15)21-16(25)14(11(4)24)23-22-13-9(2)7-6-8-12(13)17(26)27;1-4-28-17(27)14-9(2)19-18(29-14)20-15(24)13(10(3)23)22-21-12-7-5-11(6-8-12)16(25)26;1-4-28-17(27)14-9(2)19-18(29-14)20-15(24)13(10(3)23)22-21-12-7-5-6-11(8-12)16(25)26;1-4-28-17(27)14-9(2)19-18(29-14)20-15(24)13(10(3)23)22-21-12-8-6-5-7-11(12)16(25)26;1-4-27-17(26)15-10(2)19-18(28-15)20-16(25)14(11(3)24)22-21-13-8-6-5-7-12(13)9-23;1-4-26-16(25)14-9(2)18-17(27-14)19-15(24)13(10(3)22)21-20-11-7-5-6-8-12(11)23/h2*6-8,24H,5H2,1-4H3,(H,26,27)(H,20,21,25);6-9,24H,5H2,1-4H3,(H,20,21,25);6-8,24H,5H2,1-4H3,(H,26,27)(H,20,21,25);3*5-8,23H,4H2,1-3H3,(H,25,26)(H,19,20,24);5-8,23-24H,4,9H2,1-3H3,(H,19,20,25);5-8,22-23H,4H2,1-3H3,(H,18,19,24)/b4*14-11?,23-22+;3*13-10?,22-21+;14-11?,22-21+;13-10?,21-20+.

What are the key properties of 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 3779.99 g/mol, XLogP of 35.36, 62 rotatable bonds, 26 hydrogen bond donors, and 82 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;3-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;4-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-methylbenzoic acid;2-[[1-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methylbenzoic acid;ethyl 2-[[3-hydroxy-2-[[2-(hydroxymethyl)phenyl]diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 2-[[3-hydroxy-2-[(2-methoxycarbonylphenyl)diazenyl]but-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 164951623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).