3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane

C27H37NOSSi — CID 19757573

IUPAC3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane
SMILESCCCCCCc1ccc(-c2ncc(-c3ccc(OCCC[Si](C)(C)C)cc3)s2)cc1
InChIInChI=1S/C27H37NOSSi/c1-5-6-7-8-10-22-11-13-24(14-12-22)27-28-21-26(30-27)23-15-17-25(18-16-23)29-19-9-20-31(2,3)4/h11-18,21H,5-10,19-20H2,1-4H3
InChIKeyHBTZLUKNGIUOQG-UHFFFAOYSA-N
MW451.75 g/mol
LogP8.71
Rot. Bonds12

About 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane

3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane (PubChem CID 19757573) has the molecular formula C27H37NOSSi and a molecular weight of 451.75 g/mol. Its IUPAC name is 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane.

Molecular Properties

Compound Name3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane
PubChem CID19757573
Molecular FormulaC27H37NOSSi
Molecular Weight451.75 g/mol
Exact Mass451.24
IUPAC Name3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane
SMILESCCCCCCc1ccc(-c2ncc(-c3ccc(OCCC[Si](C)(C)C)cc3)s2)cc1
InChIInChI=1S/C27H37NOSSi/c1-5-6-7-8-10-22-11-13-24(14-12-22)27-28-21-26(30-27)23-15-17-25(18-16-23)29-19-9-20-31(2,3)4/h11-18,21H,5-10,19-20H2,1-4H3
InChIKeyHBTZLUKNGIUOQG-UHFFFAOYSA-N
XLogP8.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.75
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol
CID 23354762
[4-[2-(4-octylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate
CID 23354791
[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 4-[butyl(dimethyl)silyl]butanoate
CID 19757578
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
1-hexoxy-4-pentylbenzene
CID 54277450
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
2,5-bis[4-[(E)-hept-2-enoxy]phenyl]-1,3-thiazole
CID 23432308
3-(4-heptoxyphenyl)-6-(4-pentylphenyl)dithiine
CID 139802879

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane?
The IUPAC name of 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane (CID 19757573) is 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane.
What is the SMILES notation for 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane?
The canonical SMILES for 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane is CCCCCCc1ccc(-c2ncc(-c3ccc(OCCC[Si](C)(C)C)cc3)s2)cc1.
What is the InChIKey of 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane?
The InChIKey is HBTZLUKNGIUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NOSSi/c1-5-6-7-8-10-22-11-13-24(14-12-22)27-28-21-26(30-27)23-15-17-25(18-16-23)29-19-9-20-31(2,3)4/h11-18,21H,5-10,19-20H2,1-4H3.
What are the key properties of 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane?
3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane has a molecular weight of 451.75 g/mol, XLogP of 8.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane is sourced from PubChem (CID 19757573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).