[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane

C17H24BrNO2SSi — CID 175544968

IUPAC[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Br)c(OCc2cscn2)c1
InChIInChI=1S/C17H24BrNO2SSi/c1-17(2,3)23(4,5)21-9-13-6-7-15(18)16(8-13)20-10-14-11-22-12-19-14/h6-8,11-12H,9-10H2,1-5H3
InChIKeyAWOAHCLCHIDUMC-UHFFFAOYSA-N
MW414.44 g/mol
LogP6.01
Rot. Bonds6

About [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane

[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 175544968) has the molecular formula C17H24BrNO2SSi and a molecular weight of 414.44 g/mol. Its IUPAC name is [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane
PubChem CID175544968
Molecular FormulaC17H24BrNO2SSi
Molecular Weight414.44 g/mol
Exact Mass413.05
IUPAC Name[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Br)c(OCc2cscn2)c1
InChIInChI=1S/C17H24BrNO2SSi/c1-17(2,3)23(4,5)21-9-13-6-7-15(18)16(8-13)20-10-14-11-22-12-19-14/h6-8,11-12H,9-10H2,1-5H3
InChIKeyAWOAHCLCHIDUMC-UHFFFAOYSA-N
XLogP6.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane (CID 175544968) is [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(Br)c(OCc2cscn2)c1.
What is the InChIKey of [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is AWOAHCLCHIDUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2SSi/c1-17(2,3)23(4,5)21-9-13-6-7-15(18)16(8-13)20-10-14-11-22-12-19-14/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane?
[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 414.44 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 175544968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).