2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane

C10H15NSSi — CID 11651390

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane
SMILESCc1nc(C#C[Si](C)(C)C)c(C)s1
InChIInChI=1S/C10H15NSSi/c1-8-10(11-9(2)12-8)6-7-13(3,4)5/h1-5H3
InChIKeyDNCIFBHVCUVKEP-UHFFFAOYSA-N
MW209.39 g/mol
LogP2.99
Rot. Bonds

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane

2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane (PubChem CID 11651390) has the molecular formula C10H15NSSi and a molecular weight of 209.39 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane
PubChem CID11651390
Molecular FormulaC10H15NSSi
Molecular Weight209.39 g/mol
Exact Mass209.07
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane
SMILESCc1nc(C#C[Si](C)(C)C)c(C)s1
InChIInChI=1S/C10H15NSSi/c1-8-10(11-9(2)12-8)6-7-13(3,4)5/h1-5H3
InChIKeyDNCIFBHVCUVKEP-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.39
LogP ≤ 52.99
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 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane (CID 11651390) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane is Cc1nc(C#C[Si](C)(C)C)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane?
The InChIKey is DNCIFBHVCUVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NSSi/c1-8-10(11-9(2)12-8)6-7-13(3,4)5/h1-5H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane?
2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane has a molecular weight of 209.39 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 11651390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).