[2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane

C12H22BrNSSi — CID 164668613

IUPAC[2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane
SMILESCC(C)CC(C[Si](C)(C)C)c1ncc(Br)s1
InChIInChI=1S/C12H22BrNSSi/c1-9(2)6-10(8-16(3,4)5)12-14-7-11(13)15-12/h7,9-10H,6,8H2,1-5H3
InChIKeyQRPXTWXUKNZFOM-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.37
Rot. Bonds5

About [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane

[2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane (PubChem CID 164668613) has the molecular formula C12H22BrNSSi and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane
PubChem CID164668613
Molecular FormulaC12H22BrNSSi
Molecular Weight320.37 g/mol
Exact Mass319.04
IUPAC Name[2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane
SMILESCC(C)CC(C[Si](C)(C)C)c1ncc(Br)s1
InChIInChI=1S/C12H22BrNSSi/c1-9(2)6-10(8-16(3,4)5)12-14-7-11(13)15-12/h7,9-10H,6,8H2,1-5H3
InChIKeyQRPXTWXUKNZFOM-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane?
The IUPAC name of [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane (CID 164668613) is [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane.
What is the SMILES notation for [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane?
The canonical SMILES for [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane is CC(C)CC(C[Si](C)(C)C)c1ncc(Br)s1.
What is the InChIKey of [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane?
The InChIKey is QRPXTWXUKNZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNSSi/c1-9(2)6-10(8-16(3,4)5)12-14-7-11(13)15-12/h7,9-10H,6,8H2,1-5H3.
What are the key properties of [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane?
[2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane has a molecular weight of 320.37 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-1,3-thiazol-2-yl)-4-methylpentyl]-trimethylsilane is sourced from PubChem (CID 164668613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).