[5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride

C96H124Cl6N30O12S7 — CID 158040164

About [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride

[5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride (PubChem CID 158040164) has the molecular formula C96H124Cl6N30O12S7 and a molecular weight of 2327.43 g/mol. Its IUPAC name is [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride.

Molecular Properties

• Compound Name: [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride
• PubChem CID: 158040164
• Molecular Formula: C96H124Cl6N30O12S7
• Molecular Weight: 2327.43 g/mol
• Exact Mass: 2322.62
• IUPAC Name: [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride
• SMILES: CC[n+]1ccsc1/N=N/c1ccc(N(C)C)cc1.CN(C)c1ccc(/N=N/c2c3ccccc3n(C)[n+]2C)cc1.CN(C)c1ccc(/N=N/c2scc[n+]2C)c(Cl)c1.CN1CCOc2cc(/N=N/c3scc[n+]3C)ccc21.COc1cc(/N=N/c2n(C)cc[n+]2C)c(CO)cc1N.COc1cc(/N=N/c2scc[n+]2C)ccc1N(C)C.CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].Cc1cc(/N=N/c2scc[n+]2C)ccc1N(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C17H20N5.C13H17N5O2.C13H15N4OS.C13H17N4OS.2C13H17N4S.C12H14ClN4S.2CH4O4S.5ClH/c1-20(2)14-11-9-13(10-12-14)18-19-17-15-7-5-6-8-16(15)21(3)22(17)4;1-17-4-5-18(2)13(17)16-15-11-7-12(20-3)10(14)6-9(11)8-19;1-16-5-7-18-12-9-10(3-4-11(12)16)14-15-13-17(2)6-8-19-13;1-16(2)11-6-5-10(9-12(11)18-4)14-15-13-17(3)7-8-19-13;1-10-9-11(5-6-12(10)16(2)3)14-15-13-17(4)7-8-18-13;1-4-17-9-10-18-13(17)15-14-11-5-7-12(8-6-11)16(2)3;1-16(2)9-4-5-11(10(13)8-9)14-15-12-17(3)6-7-18-12;2*1-6(3,4)5-2;;;;;/h5-12H,1-4H3;4-7,14,19H,8H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;5-9H,1-4H3;5-9H,1-4H3;5-10H,4H2,1-3H3;4-8H,1-3H3;2*2H,1H3;5*1H/q+1;;5*+1;;;;;;;/p-6
• InChIKey: LPPUGJMEVXNCSU-UHFFFAOYSA-H
• XLogP: 2.81
• TPSA: 436.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2327.43
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride?

The IUPAC name of [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride (CID 158040164) is [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride.

What is the SMILES notation for [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride?

The canonical SMILES for [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride is CC[n+]1ccsc1/N=N/c1ccc(N(C)C)cc1.CN(C)c1ccc(/N=N/c2c3ccccc3n(C)[n+]2C)cc1.CN(C)c1ccc(/N=N/c2scc[n+]2C)c(Cl)c1.CN1CCOc2cc(/N=N/c3scc[n+]3C)ccc21.COc1cc(/N=N/c2n(C)cc[n+]2C)c(CO)cc1N.COc1cc(/N=N/c2scc[n+]2C)ccc1N(C)C.CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].Cc1cc(/N=N/c2scc[n+]2C)ccc1N(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].

What is the InChIKey of [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride?

The InChIKey is LPPUGJMEVXNCSU-UHFFFAOYSA-H. The full InChI is InChI=1S/C17H20N5.C13H17N5O2.C13H15N4OS.C13H17N4OS.2C13H17N4S.C12H14ClN4S.2CH4O4S.5ClH/c1-20(2)14-11-9-13(10-12-14)18-19-17-15-7-5-6-8-16(15)21(3)22(17)4;1-17-4-5-18(2)13(17)16-15-11-7-12(20-3)10(14)6-9(11)8-19;1-16-5-7-18-12-9-10(3-4-11(12)16)14-15-13-17(2)6-8-19-13;1-16(2)11-6-5-10(9-12(11)18-4)14-15-13-17(3)7-8-19-13;1-10-9-11(5-6-12(10)16(2)3)14-15-13-17(4)7-8-18-13;1-4-17-9-10-18-13(17)15-14-11-5-7-12(8-6-11)16(2)3;1-16(2)9-4-5-11(10(13)8-9)14-15-12-17(3)6-7-18-12;2*1-6(3,4)5-2;;;;;/h5-12H,1-4H3;4-7,14,19H,8H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;5-9H,1-4H3;5-9H,1-4H3;5-10H,4H2,1-3H3;4-8H,1-3H3;2*2H,1H3;5*1H/q+1;;5*+1;;;;;;;/p-6.

What are the key properties of [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride?

[5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride has a molecular weight of 2327.43 g/mol, XLogP of 2.81, 25 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-4-methoxyphenyl]methanol;3-chloro-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-dimethylaniline;4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;2-methoxy-N,N-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;N,N,2-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;pentachloride is sourced from PubChem (CID 158040164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).