1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine

C17H26N2SSi — CID 103438032

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2ccc([Si](C)(C)C)cc2)s1
InChIInChI=1S/C17H26N2SSi/c1-6-15-12-19-17(20-15)13(2)18-11-14-7-9-16(10-8-14)21(3,4)5/h7-10,12-13,18H,6,11H2,1-5H3
InChIKeyHEIYFEIONNHBJV-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.10
Rot. Bonds6

About 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine (PubChem CID 103438032) has the molecular formula C17H26N2SSi and a molecular weight of 318.56 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
PubChem CID103438032
Molecular FormulaC17H26N2SSi
Molecular Weight318.56 g/mol
Exact Mass318.16
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2ccc([Si](C)(C)C)cc2)s1
InChIInChI=1S/C17H26N2SSi/c1-6-15-12-19-17(20-15)13(2)18-11-14-7-9-16(10-8-14)21(3,4)5/h7-10,12-13,18H,6,11H2,1-5H3
InChIKeyHEIYFEIONNHBJV-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine (CID 103438032) is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine is CCc1cnc(C(C)NCc2ccc([Si](C)(C)C)cc2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The InChIKey is HEIYFEIONNHBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2SSi/c1-6-15-12-19-17(20-15)13(2)18-11-14-7-9-16(10-8-14)21(3,4)5/h7-10,12-13,18H,6,11H2,1-5H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine has a molecular weight of 318.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine is sourced from PubChem (CID 103438032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).