2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile

C9H14N2OSSi — CID 70818252

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile
SMILESCc1nc(C(C#N)O[Si](C)(C)C)cs1
InChIInChI=1S/C9H14N2OSSi/c1-7-11-8(6-13-7)9(5-10)12-14(2,3)4/h6,9H,1-4H3
InChIKeyGPHKTOCHCQASAS-UHFFFAOYSA-N
MW226.38 g/mol
LogP2.87
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile

2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 70818252) has the molecular formula C9H14N2OSSi and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID70818252
Molecular FormulaC9H14N2OSSi
Molecular Weight226.38 g/mol
Exact Mass226.06
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile
SMILESCc1nc(C(C#N)O[Si](C)(C)C)cs1
InChIInChI=1S/C9H14N2OSSi/c1-7-11-8(6-13-7)9(5-10)12-14(2,3)4/h6,9H,1-4H3
InChIKeyGPHKTOCHCQASAS-UHFFFAOYSA-N
XLogP2.87
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 52.87
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-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile (CID 70818252) is 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile is Cc1nc(C(C#N)O[Si](C)(C)C)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is GPHKTOCHCQASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OSSi/c1-7-11-8(6-13-7)9(5-10)12-14(2,3)4/h6,9H,1-4H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile?
2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 226.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 70818252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).