trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane

C20H26NOSSi+ — CID 102181888

IUPACtrimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane
SMILESCc1sc(C(O[Si](C)(C)C)c2ccc3ccccc3c2)[n+](C)c1C
InChIInChI=1S/C20H26NOSSi/c1-14-15(2)23-20(21(14)3)19(22-24(4,5)6)18-12-11-16-9-7-8-10-17(16)13-18/h7-13,19H,1-6H3/q+1
InChIKeyWBZRWRNHGBWGCZ-UHFFFAOYSA-N
MW356.59 g/mol
LogP5.28
Rot. Bonds4

About trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane

trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane (PubChem CID 102181888) has the molecular formula C20H26NOSSi+ and a molecular weight of 356.59 g/mol. Its IUPAC name is trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane
PubChem CID102181888
Molecular FormulaC20H26NOSSi+
Molecular Weight356.59 g/mol
Exact Mass356.15
IUPAC Nametrimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane
SMILESCc1sc(C(O[Si](C)(C)C)c2ccc3ccccc3c2)[n+](C)c1C
InChIInChI=1S/C20H26NOSSi/c1-14-15(2)23-20(21(14)3)19(22-24(4,5)6)18-12-11-16-9-7-8-10-17(16)13-18/h7-13,19H,1-6H3/q+1
InChIKeyWBZRWRNHGBWGCZ-UHFFFAOYSA-N
XLogP5.28
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1,2-dinaphthalen-2-yl-2-trimethylsilyloxyethoxy)-trimethylsilane
CID 10575884
ethane;2-propan-2-ylnaphthalene
CID 142226111
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
2-propan-2-ylpentacene
CID 153380535
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
amino(naphthalen-2-yl)methanethiol
CID 116939563
dinaphthalen-2-ylmethyl carbamate
CID 173097882
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
[(2,4-dimethyl-1,3-thiazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 114033921

Frequently Asked Questions

What is the IUPAC name of trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane?
The IUPAC name of trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane (CID 102181888) is trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane.
What is the SMILES notation for trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane?
The canonical SMILES for trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane is Cc1sc(C(O[Si](C)(C)C)c2ccc3ccccc3c2)[n+](C)c1C.
What is the InChIKey of trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane?
The InChIKey is WBZRWRNHGBWGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NOSSi/c1-14-15(2)23-20(21(14)3)19(22-24(4,5)6)18-12-11-16-9-7-8-10-17(16)13-18/h7-13,19H,1-6H3/q+1.
What are the key properties of trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane?
trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane has a molecular weight of 356.59 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[naphthalen-2-yl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methoxy]silane is sourced from PubChem (CID 102181888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).