N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride

C28H36Cl2N8O2S2 — CID 130422065

IUPACN-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride
SMILESCN(CCOCCOCCN(C)c1ccc(/N=N/c2scc[n+]2C)cc1)c1ccc(/N=N/c2scc[n+]2C)cc1.[Cl-].[Cl-]
InChIInChI=1S/C28H36N8O2S2.2ClH/c1-33(25-9-5-23(6-10-25)29-31-27-35(3)15-21-39-27)13-17-37-19-20-38-18-14-34(2)26-11-7-24(8-12-26)30-32-28-36(4)16-22-40-28;;/h5-12,15-16,21-22H,13-14,17-20H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyDLYITPUCZQODLB-UHFFFAOYSA-L
MW651.69 g/mol
LogP-0.10
Rot. Bonds15

About N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride

N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride (PubChem CID 130422065) has the molecular formula C28H36Cl2N8O2S2 and a molecular weight of 651.69 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride
PubChem CID130422065
Molecular FormulaC28H36Cl2N8O2S2
Molecular Weight651.69 g/mol
Exact Mass650.18
IUPAC NameN-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride
SMILESCN(CCOCCOCCN(C)c1ccc(/N=N/c2scc[n+]2C)cc1)c1ccc(/N=N/c2scc[n+]2C)cc1.[Cl-].[Cl-]
InChIInChI=1S/C28H36N8O2S2.2ClH/c1-33(25-9-5-23(6-10-25)29-31-27-35(3)15-21-39-27)13-17-37-19-20-38-18-14-34(2)26-11-7-24(8-12-26)30-32-28-36(4)16-22-40-28;;/h5-12,15-16,21-22H,13-14,17-20H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyDLYITPUCZQODLB-UHFFFAOYSA-L
XLogP-0.10
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.69
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride with MolForge

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Related Compounds

N,N'-dimethyl-N,N'-bis[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]pentane-1,5-diamine
CID 121364421
N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 121364382
N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)
CID 130422079
zinc;bis(N,N-diethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline);tetrachloride
CID 138400967
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CID 130422108
N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline acetate
CID 87610304
(4-butoxyphenyl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene
CID 91080593
N,N-dimethyl-4-[(3-methyl-1,3,4-thiadiazol-3-ium-2-yl)diazenyl]aniline;methanesulfonoperoxoic acid;3-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile;chloride
CID 160979759
N,N'-bis[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine dichloride
CID 130422087
carbanide;N,N'-dimethyl-N,N'-bis[2-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]butane-1,4-diamine
CID 160676728
carbanide;N,N'-dimethyl-N,N'-bis[2-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine
CID 160893105
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride?
The IUPAC name of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride (CID 130422065) is N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride.
What is the SMILES notation for N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride?
The canonical SMILES for N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride is CN(CCOCCOCCN(C)c1ccc(/N=N/c2scc[n+]2C)cc1)c1ccc(/N=N/c2scc[n+]2C)cc1.[Cl-].[Cl-].
What is the InChIKey of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride?
The InChIKey is DLYITPUCZQODLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H36N8O2S2.2ClH/c1-33(25-9-5-23(6-10-25)29-31-27-35(3)15-21-39-27)13-17-37-19-20-38-18-14-34(2)26-11-7-24(8-12-26)30-32-28-36(4)16-22-40-28;;/h5-12,15-16,21-22H,13-14,17-20H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride?
N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride has a molecular weight of 651.69 g/mol, XLogP of -0.10, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride is sourced from PubChem (CID 130422065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).