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

C8H9Cl2NSSi — CID 142620351

IUPAC2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1nc(Cl)c(Cl)s1
InChIInChI=1S/C8H9Cl2NSSi/c1-13(2,3)5-4-6-11-7(9)8(10)12-6/h1-3H3
InChIKeyMFBXAUUJBVLYJL-UHFFFAOYSA-N
MW250.23 g/mol
LogP3.68
Rot. Bonds

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

2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane (PubChem CID 142620351) has the molecular formula C8H9Cl2NSSi and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane
PubChem CID142620351
Molecular FormulaC8H9Cl2NSSi
Molecular Weight250.23 g/mol
Exact Mass248.96
IUPAC Name2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1nc(Cl)c(Cl)s1
InChIInChI=1S/C8H9Cl2NSSi/c1-13(2,3)5-4-6-11-7(9)8(10)12-6/h1-3H3
InChIKeyMFBXAUUJBVLYJL-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 53.68
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-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane (CID 142620351) is 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1nc(Cl)c(Cl)s1.
What is the InChIKey of 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane?
The InChIKey is MFBXAUUJBVLYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NSSi/c1-13(2,3)5-4-6-11-7(9)8(10)12-6/h1-3H3.
What are the key properties of 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane?
2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane has a molecular weight of 250.23 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1,3-thiazol-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 142620351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).