2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine

C23H23N5S2 — CID 144988041

IUPAC2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine
SMILESCSCCNc1cc(Sc2ccccc2)cc(Nc2cn(-c3ccccc3)cn2)n1
InChIInChI=1S/C23H23N5S2/c1-29-13-12-24-21-14-20(30-19-10-6-3-7-11-19)15-22(26-21)27-23-16-28(17-25-23)18-8-4-2-5-9-18/h2-11,14-17H,12-13H2,1H3,(H2,24,26,27)
InChIKeyLCWAJQMPHKHCFC-UHFFFAOYSA-N
MW433.61 g/mol
LogP5.94
Rot. Bonds9

About 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine

2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine (PubChem CID 144988041) has the molecular formula C23H23N5S2 and a molecular weight of 433.61 g/mol. Its IUPAC name is 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine
PubChem CID144988041
Molecular FormulaC23H23N5S2
Molecular Weight433.61 g/mol
Exact Mass433.14
IUPAC Name2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine
SMILESCSCCNc1cc(Sc2ccccc2)cc(Nc2cn(-c3ccccc3)cn2)n1
InChIInChI=1S/C23H23N5S2/c1-29-13-12-24-21-14-20(30-19-10-6-3-7-11-19)15-22(26-21)27-23-16-28(17-25-23)18-8-4-2-5-9-18/h2-11,14-17H,12-13H2,1H3,(H2,24,26,27)
InChIKeyLCWAJQMPHKHCFC-UHFFFAOYSA-N
XLogP5.94
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.61
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine
CID 144988160
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 80839882
1-chloro-N-(2-methylsulfanylethyl)isoquinolin-3-amine
CID 133391738
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane
CID 144988226
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
CID 142498170
6-N-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960012
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine?
The IUPAC name of 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine (CID 144988041) is 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine?
The canonical SMILES for 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine is CSCCNc1cc(Sc2ccccc2)cc(Nc2cn(-c3ccccc3)cn2)n1.
What is the InChIKey of 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine?
The InChIKey is LCWAJQMPHKHCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S2/c1-29-13-12-24-21-14-20(30-19-10-6-3-7-11-19)15-22(26-21)27-23-16-28(17-25-23)18-8-4-2-5-9-18/h2-11,14-17H,12-13H2,1H3,(H2,24,26,27).
What are the key properties of 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine?
2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine has a molecular weight of 433.61 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine is sourced from PubChem (CID 144988041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).