2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane

C17H23BrClNO2SSi — CID 168987343

IUPAC2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc(-c2nccs2)c(Br)cc1Cl
InChIInChI=1S/C17H23BrClNO2SSi/c1-17(2,3)24(4,5)22-8-7-21-15-10-12(13(18)11-14(15)19)16-20-6-9-23-16/h6,9-11H,7-8H2,1-5H3
InChIKeyLJAYNQOKYFUPRI-UHFFFAOYSA-N
MW448.89 g/mol
LogP6.63
Rot. Bonds6

About 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane

2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 168987343) has the molecular formula C17H23BrClNO2SSi and a molecular weight of 448.89 g/mol. Its IUPAC name is 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID168987343
Molecular FormulaC17H23BrClNO2SSi
Molecular Weight448.89 g/mol
Exact Mass447.01
IUPAC Name2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc(-c2nccs2)c(Br)cc1Cl
InChIInChI=1S/C17H23BrClNO2SSi/c1-17(2,3)24(4,5)22-8-7-21-15-10-12(13(18)11-14(15)19)16-20-6-9-23-16/h6,9-11H,7-8H2,1-5H3
InChIKeyLJAYNQOKYFUPRI-UHFFFAOYSA-N
XLogP6.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.89
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide
CID 68604698
2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324563
2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
CID 116868419
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324707
2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
CID 175077266
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
CID 116868425
tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
CID 162028338
4-[3-bromo-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]phenyl]benzoic acid
CID 141144653

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane (CID 168987343) is 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1cc(-c2nccs2)c(Br)cc1Cl.
What is the InChIKey of 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is LJAYNQOKYFUPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrClNO2SSi/c1-17(2,3)24(4,5)22-8-7-21-15-10-12(13(18)11-14(15)19)16-20-6-9-23-16/h6,9-11H,7-8H2,1-5H3.
What are the key properties of 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane?
2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 448.89 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 168987343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).