trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane

C9H13NSSi — CID 59217971

IUPACtrimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane
SMILESCc1ncsc1C#C[Si](C)(C)C
InChIInChI=1S/C9H13NSSi/c1-8-9(11-7-10-8)5-6-12(2,3)4/h7H,1-4H3
InChIKeyQTSVBMHUBNWLKT-UHFFFAOYSA-N
MW195.36 g/mol
LogP2.68
Rot. Bonds

About trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane

trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane (PubChem CID 59217971) has the molecular formula C9H13NSSi and a molecular weight of 195.36 g/mol. Its IUPAC name is trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane
PubChem CID59217971
Molecular FormulaC9H13NSSi
Molecular Weight195.36 g/mol
Exact Mass195.05
IUPAC Nametrimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane
SMILESCc1ncsc1C#C[Si](C)(C)C
InChIInChI=1S/C9H13NSSi/c1-8-9(11-7-10-8)5-6-12(2,3)4/h7H,1-4H3
InChIKeyQTSVBMHUBNWLKT-UHFFFAOYSA-N
XLogP2.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.36
LogP ≤ 52.68
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-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane (CID 59217971) is trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane is Cc1ncsc1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane?
The InChIKey is QTSVBMHUBNWLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NSSi/c1-8-9(11-7-10-8)5-6-12(2,3)4/h7H,1-4H3.
What are the key properties of trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane?
trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane has a molecular weight of 195.36 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane is sourced from PubChem (CID 59217971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).