(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene

C17H24N5S+ — CID 145088080

IUPAC(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene
SMILESCCn1cc[n+](CC)c1/N=N/c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C17H24N5S/c1-3-20-9-10-21(4-2)17(20)19-18-15-5-7-16(8-6-15)22-11-13-23-14-12-22/h5-10H,3-4,11-14H2,1-2H3/q+1
InChIKeyASGNOJDHSORXKC-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.78
Rot. Bonds5

About (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene

(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene (PubChem CID 145088080) has the molecular formula C17H24N5S+ and a molecular weight of 330.48 g/mol. Its IUPAC name is (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene.

Molecular Properties

Compound Name(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene
PubChem CID145088080
Molecular FormulaC17H24N5S+
Molecular Weight330.48 g/mol
Exact Mass330.17
IUPAC Name(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene
SMILESCCn1cc[n+](CC)c1/N=N/c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C17H24N5S/c1-3-20-9-10-21(4-2)17(20)19-18-15-5-7-16(8-6-15)22-11-13-23-14-12-22/h5-10H,3-4,11-14H2,1-2H3/q+1
InChIKeyASGNOJDHSORXKC-UHFFFAOYSA-N
XLogP3.78
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1,3-diethyl-4-methylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene
CID 145088093
(1,3-diethylimidazol-1-ium-2-yl)-[4-[5-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-2-methylphenyl]-1,5-diazocan-1-yl]-3-methylphenyl]diazene
CID 130423907
(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene
CID 130423899
N,N'-bis[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N,N'-diethylpropane-1,3-diamine
CID 121364502
N,N'-bis[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N,N'-diethylpentane-1,5-diamine
CID 121364494
carbanide;(3-ethyl-1,3-thiazol-3-ium-2-yl)-[4-[4-[4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 159821817
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
[4-(azepan-1-yl)phenyl]-(3-ethyl-5-methyl-1,3-thiazol-3-ium-2-yl)diazene
CID 121366193
9-[4-[[4-[(4-thiomorpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenoxy]nonyl propanoate
CID 156628724
2-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]piperazin-1-yl]ethanamine
CID 20741728
(1,3-dimethylimidazol-1-ium-2-yl)-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]diazene diiodide
CID 87739139
(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)-[4-[4-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 121366623

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene?
The IUPAC name of (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene (CID 145088080) is (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene.
What is the SMILES notation for (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene?
The canonical SMILES for (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene is CCn1cc[n+](CC)c1/N=N/c1ccc(N2CCSCC2)cc1.
What is the InChIKey of (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene?
The InChIKey is ASGNOJDHSORXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N5S/c1-3-20-9-10-21(4-2)17(20)19-18-15-5-7-16(8-6-15)22-11-13-23-14-12-22/h5-10H,3-4,11-14H2,1-2H3/q+1.
What are the key properties of (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene?
(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene has a molecular weight of 330.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene is sourced from PubChem (CID 145088080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).