trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane

C23H29N5OSSi — CID 53251778

IUPACtrimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc(-c2cn(COCC[Si](C)(C)C)c(/C=C/c3nc4cccc(C)n4n3)n2)s1
InChIInChI=1S/C23H29N5OSSi/c1-17-7-6-8-23-25-21(26-28(17)23)11-12-22-24-19(20-10-9-18(2)30-20)15-27(22)16-29-13-14-31(3,4)5/h6-12,15H,13-14,16H2,1-5H3/b12-11+
InChIKeyKBTKJGRKSGBHLC-VAWYXSNFSA-N
MW451.67 g/mol
LogP5.75
Rot. Bonds8

About trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 53251778) has the molecular formula C23H29N5OSSi and a molecular weight of 451.67 g/mol. Its IUPAC name is trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID53251778
Molecular FormulaC23H29N5OSSi
Molecular Weight451.67 g/mol
Exact Mass451.19
IUPAC Nametrimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc(-c2cn(COCC[Si](C)(C)C)c(/C=C/c3nc4cccc(C)n4n3)n2)s1
InChIInChI=1S/C23H29N5OSSi/c1-17-7-6-8-23-25-21(26-28(17)23)11-12-22-24-19(20-10-9-18(2)30-20)15-27(22)16-29-13-14-31(3,4)5/h6-12,15H,13-14,16H2,1-5H3/b12-11+
InChIKeyKBTKJGRKSGBHLC-VAWYXSNFSA-N
XLogP5.75
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.67
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 53251778) is trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane is Cc1ccc(-c2cn(COCC[Si](C)(C)C)c(/C=C/c3nc4cccc(C)n4n3)n2)s1.
What is the InChIKey of trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is KBTKJGRKSGBHLC-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H29N5OSSi/c1-17-7-6-8-23-25-21(26-28(17)23)11-12-22-24-19(20-10-9-18(2)30-20)15-27(22)16-29-13-14-31(3,4)5/h6-12,15H,13-14,16H2,1-5H3/b12-11+.
What are the key properties of trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 451.67 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(5-methylthiophen-2-yl)-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 53251778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).