2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile

C8H12N2OSSi — CID 18398701

IUPAC2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1nccs1
InChIInChI=1S/C8H12N2OSSi/c1-13(2,3)11-7(6-9)8-10-4-5-12-8/h4-5,7H,1-3H3
InChIKeyANVQJJYMPGQBSX-UHFFFAOYSA-N
MW212.35 g/mol
LogP2.56
Rot. Bonds3

About 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile

2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 18398701) has the molecular formula C8H12N2OSSi and a molecular weight of 212.35 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID18398701
Molecular FormulaC8H12N2OSSi
Molecular Weight212.35 g/mol
Exact Mass212.04
IUPAC Name2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1nccs1
InChIInChI=1S/C8H12N2OSSi/c1-13(2,3)11-7(6-9)8-10-4-5-12-8/h4-5,7H,1-3H3
InChIKeyANVQJJYMPGQBSX-UHFFFAOYSA-N
XLogP2.56
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile (CID 18398701) is 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is ANVQJJYMPGQBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OSSi/c1-13(2,3)11-7(6-9)8-10-4-5-12-8/h4-5,7H,1-3H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile?
2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 212.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 18398701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).