2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane

C16H21BrN2S2Si2 — CID 161350387

IUPAC2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ncc(Br)s1.C[Si](C)(C)C#Cc1nccs1
InChIInChI=1S/C8H10BrNSSi.C8H11NSSi/c1-12(2,3)5-4-8-10-6-7(9)11-8;1-11(2,3)7-4-8-9-5-6-10-8/h6H,1-3H3;5-6H,1-3H3
InChIKeyVNVVTBZTVDWUAZ-UHFFFAOYSA-N
MW441.57 g/mol
LogP5.51
Rot. Bonds

About 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane

2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane (PubChem CID 161350387) has the molecular formula C16H21BrN2S2Si2 and a molecular weight of 441.57 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane
PubChem CID161350387
Molecular FormulaC16H21BrN2S2Si2
Molecular Weight441.57 g/mol
Exact Mass439.99
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ncc(Br)s1.C[Si](C)(C)C#Cc1nccs1
InChIInChI=1S/C8H10BrNSSi.C8H11NSSi/c1-12(2,3)5-4-8-10-6-7(9)11-8;1-11(2,3)7-4-8-9-5-6-10-8/h6H,1-3H3;5-6H,1-3H3
InChIKeyVNVVTBZTVDWUAZ-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-thiazol-2-yl)ethynethiol
CID 147703090
2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane
CID 15339452
2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane
CID 86100822
N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine
CID 170463696
1,3-thiazole-2-carbonitrile;hydrochloride
CID 162215282
2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 18791073
2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol
CID 161391568
2-(5-bromopyrazin-2-yl)ethynyl-trimethylsilane
CID 57497686
2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole
CID 23500886
trimethyl(2-thieno[2,3-b]pyridin-2-ylethynyl)silane
CID 69472098
1-(5-bromo-1,3-thiazol-4-yl)-2-[5-(2-trimethylsilylethynyl)-1,3-thiazol-4-yl]ethane-1,2-diol
CID 68599008
2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane
CID 174544142

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane (CID 161350387) is 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane is C[Si](C)(C)C#Cc1ncc(Br)s1.C[Si](C)(C)C#Cc1nccs1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane?
The InChIKey is VNVVTBZTVDWUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNSSi.C8H11NSSi/c1-12(2,3)5-4-8-10-6-7(9)11-8;1-11(2,3)7-4-8-9-5-6-10-8/h6H,1-3H3;5-6H,1-3H3.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane?
2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane has a molecular weight of 441.57 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane is sourced from PubChem (CID 161350387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).