4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide

C91H67N23O11S3 — CID 159261081

About 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide

4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide (PubChem CID 159261081) has the molecular formula C91H67N23O11S3 and a molecular weight of 1754.89 g/mol. Its IUPAC name is 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide
• PubChem CID: 159261081
• Molecular Formula: C91H67N23O11S3
• Molecular Weight: 1754.89 g/mol
• Exact Mass: 1753.46
• IUPAC Name: 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide
• SMILES: COc1c(C(=O)Nc2cccnc2)cc2ccccc2c1/N=N/c1snc(C)c1C#N.Cc1nc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)sc1C#N.Cc1nsc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)n1.O=Cc1cn(-c2ncccn2)nc1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12
• InChI: InChI=1S/C26H19N7O4.C22H16N6O2S.C22H15N5O2S.C21H17N5O3S/c34-14-16-6-8-19(9-7-16)29-25(37)21-12-17-4-1-2-5-20(17)22(23(21)36)30-31-24-18(15-35)13-33(32-24)26-27-10-3-11-28-26;1-13-18(11-23)22(31-28-13)27-26-19-16-8-4-3-6-14(16)10-17(20(19)30-2)21(29)25-15-7-5-9-24-12-15;1-13-18(12-23)30-22(24-13)27-26-19-16-10-6-5-7-14(16)11-17(20(19)28)21(29)25-15-8-3-2-4-9-15;1-12-22-21(30-26-12)25-24-18-16-5-3-2-4-14(16)10-17(19(18)28)20(29)23-15-8-6-13(11-27)7-9-15/h1-13,15,34,36H,14H2,(H,29,37);3-10,12H,1-2H3,(H,25,29);2-11,28H,1H3,(H,25,29);2-10,27-28H,11H2,1H3,(H,23,29)/b31-30+;2*27-26+;25-24+
• InChIKey: KWMYZYAXADJXNN-DMGDUZFVSA-N
• XLogP: 20.76
• TPSA: 498.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1754.89
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide?

The IUPAC name of 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide (CID 159261081) is 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide.

What is the SMILES notation for 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide?

The canonical SMILES for 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide is COc1c(C(=O)Nc2cccnc2)cc2ccccc2c1/N=N/c1snc(C)c1C#N.Cc1nc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)sc1C#N.Cc1nsc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)n1.O=Cc1cn(-c2ncccn2)nc1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12.

What is the InChIKey of 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide?

The InChIKey is KWMYZYAXADJXNN-DMGDUZFVSA-N. The full InChI is InChI=1S/C26H19N7O4.C22H16N6O2S.C22H15N5O2S.C21H17N5O3S/c34-14-16-6-8-19(9-7-16)29-25(37)21-12-17-4-1-2-5-20(17)22(23(21)36)30-31-24-18(15-35)13-33(32-24)26-27-10-3-11-28-26;1-13-18(11-23)22(31-28-13)27-26-19-16-8-4-3-6-14(16)10-17(20(19)30-2)21(29)25-15-7-5-9-24-12-15;1-13-18(12-23)30-22(24-13)27-26-19-16-10-6-5-7-14(16)11-17(20(19)28)21(29)25-15-8-3-2-4-9-15;1-12-22-21(30-26-12)25-24-18-16-5-3-2-4-14(16)10-17(19(18)28)20(29)23-15-8-6-13(11-27)7-9-15/h1-13,15,34,36H,14H2,(H,29,37);3-10,12H,1-2H3,(H,25,29);2-11,28H,1H3,(H,25,29);2-10,27-28H,11H2,1H3,(H,23,29)/b31-30+;2*27-26+;25-24+.

What are the key properties of 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide?

4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide has a molecular weight of 1754.89 g/mol, XLogP of 20.76, 21 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methoxy-N-pyridin-3-ylnaphthalene-2-carboxamide;4-[(4-formyl-1-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 159261081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).