[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine

C17H18N4SSi — CID 171037095

IUPAC[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine
SMILESC[Si](C)(C)C#Cc1ccc2nc(-c3cccs3)nc(NN)c2c1
InChIInChI=1S/C17H18N4SSi/c1-23(2,3)10-8-12-6-7-14-13(11-12)16(21-18)20-17(19-14)15-5-4-9-22-15/h4-7,9,11H,18H2,1-3H3,(H,19,20,21)
InChIKeyQMTOJZZBMPNHNT-UHFFFAOYSA-N
MW338.51 g/mol
LogP3.87
Rot. Bonds2

About [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine

[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine (PubChem CID 171037095) has the molecular formula C17H18N4SSi and a molecular weight of 338.51 g/mol. Its IUPAC name is [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine
PubChem CID171037095
Molecular FormulaC17H18N4SSi
Molecular Weight338.51 g/mol
Exact Mass338.10
IUPAC Name[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine
SMILESC[Si](C)(C)C#Cc1ccc2nc(-c3cccs3)nc(NN)c2c1
InChIInChI=1S/C17H18N4SSi/c1-23(2,3)10-8-12-6-7-14-13(11-12)16(21-18)20-17(19-14)15-5-4-9-22-15/h4-7,9,11H,18H2,1-3H3,(H,19,20,21)
InChIKeyQMTOJZZBMPNHNT-UHFFFAOYSA-N
XLogP3.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine?
The IUPAC name of [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine (CID 171037095) is [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine?
The canonical SMILES for [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine is C[Si](C)(C)C#Cc1ccc2nc(-c3cccs3)nc(NN)c2c1.
What is the InChIKey of [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine?
The InChIKey is QMTOJZZBMPNHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4SSi/c1-23(2,3)10-8-12-6-7-14-13(11-12)16(21-18)20-17(19-14)15-5-4-9-22-15/h4-7,9,11H,18H2,1-3H3,(H,19,20,21).
What are the key properties of [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine?
[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine has a molecular weight of 338.51 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine is sourced from PubChem (CID 171037095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).