trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane

C8H11NSSi — CID 22238494

IUPACtrimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cscn1
InChIInChI=1S/C8H11NSSi/c1-11(2,3)5-4-8-6-10-7-9-8/h6-7H,1-3H3
InChIKeyKZAWZHPLYFCNGU-UHFFFAOYSA-N
MW181.34 g/mol
LogP2.37
Rot. Bonds

About trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane

trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane (PubChem CID 22238494) has the molecular formula C8H11NSSi and a molecular weight of 181.34 g/mol. Its IUPAC name is trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane
PubChem CID22238494
Molecular FormulaC8H11NSSi
Molecular Weight181.34 g/mol
Exact Mass181.04
IUPAC Nametrimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cscn1
InChIInChI=1S/C8H11NSSi/c1-11(2,3)5-4-8-6-10-7-9-8/h6-7H,1-3H3
InChIKeyKZAWZHPLYFCNGU-UHFFFAOYSA-N
XLogP2.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane (CID 22238494) is trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane is C[Si](C)(C)C#Cc1cscn1.
What is the InChIKey of trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane?
The InChIKey is KZAWZHPLYFCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NSSi/c1-11(2,3)5-4-8-6-10-7-9-8/h6-7H,1-3H3.
What are the key properties of trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane?
trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane has a molecular weight of 181.34 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(1,3-thiazol-4-yl)ethynyl]silane is sourced from PubChem (CID 22238494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).