4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde

C9H11NOSSi — CID 134856516

IUPAC4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde
SMILESC[Si](C)(C)C#Cc1csc(C=O)n1
InChIInChI=1S/C9H11NOSSi/c1-13(2,3)5-4-8-7-12-9(6-11)10-8/h6-7H,1-3H3
InChIKeyZVUBFFNCILHOEE-UHFFFAOYSA-N
MW209.35 g/mol
LogP2.18
Rot. Bonds1

About 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde

4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 134856516) has the molecular formula C9H11NOSSi and a molecular weight of 209.35 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde
PubChem CID134856516
Molecular FormulaC9H11NOSSi
Molecular Weight209.35 g/mol
Exact Mass209.03
IUPAC Name4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde
SMILESC[Si](C)(C)C#Cc1csc(C=O)n1
InChIInChI=1S/C9H11NOSSi/c1-13(2,3)5-4-8-7-12-9(6-11)10-8/h6-7H,1-3H3
InChIKeyZVUBFFNCILHOEE-UHFFFAOYSA-N
XLogP2.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde (CID 134856516) is 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde is C[Si](C)(C)C#Cc1csc(C=O)n1.
What is the InChIKey of 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is ZVUBFFNCILHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOSSi/c1-13(2,3)5-4-8-7-12-9(6-11)10-8/h6-7H,1-3H3.
What are the key properties of 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde?
4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 209.35 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 134856516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).