tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane

C17H25NO2SSi — CID 90075590

IUPACtert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane
SMILESCc1ncc(COc2cccc(O[Si](C)(C)C(C)(C)C)c2)s1
InChIInChI=1S/C17H25NO2SSi/c1-13-18-11-16(21-13)12-19-14-8-7-9-15(10-14)20-22(5,6)17(2,3)4/h7-11H,12H2,1-6H3
InChIKeyAJKAHMQEKZPKAM-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.41
Rot. Bonds5

About tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane

tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane (PubChem CID 90075590) has the molecular formula C17H25NO2SSi and a molecular weight of 335.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane
PubChem CID90075590
Molecular FormulaC17H25NO2SSi
Molecular Weight335.55 g/mol
Exact Mass335.14
IUPAC Nametert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane
SMILESCc1ncc(COc2cccc(O[Si](C)(C)C(C)(C)C)c2)s1
InChIInChI=1S/C17H25NO2SSi/c1-13-18-11-16(21-13)12-19-14-8-7-9-15(10-14)20-22(5,6)17(2,3)4/h7-11H,12H2,1-6H3
InChIKeyAJKAHMQEKZPKAM-UHFFFAOYSA-N
XLogP5.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
2-methoxy-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63057591
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
CID 155978412
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
(1R)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanol
CID 63364307
[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol
CID 178077313

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane (CID 90075590) is tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane is Cc1ncc(COc2cccc(O[Si](C)(C)C(C)(C)C)c2)s1.
What is the InChIKey of tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane?
The InChIKey is AJKAHMQEKZPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2SSi/c1-13-18-11-16(21-13)12-19-14-8-7-9-15(10-14)20-22(5,6)17(2,3)4/h7-11H,12H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane?
tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane has a molecular weight of 335.55 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane is sourced from PubChem (CID 90075590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).