[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane

C16H17NOSSi — CID 170680401

IUPAC[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H17NOSSi/c1-20(2,3)18-14-10-6-4-8-12(14)16-17-13-9-5-7-11-15(13)19-16/h4-11H,1-3H3
InChIKeyVRQNWCUOEXMCSC-UHFFFAOYSA-N
MW299.47 g/mol
LogP5.18
Rot. Bonds3

About [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane

[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane (PubChem CID 170680401) has the molecular formula C16H17NOSSi and a molecular weight of 299.47 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
PubChem CID170680401
Molecular FormulaC16H17NOSSi
Molecular Weight299.47 g/mol
Exact Mass299.08
IUPAC Name[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H17NOSSi/c1-20(2,3)18-14-10-6-4-8-12(14)16-17-13-9-5-7-11-15(13)19-16/h4-11H,1-3H3
InChIKeyVRQNWCUOEXMCSC-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methoxy]phenyl]-1,3-benzothiazole;zinc
CID 143715432
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 102361398
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-methylpropan-1-amine
CID 62597898
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-2-fluoroacetic acid
CID 79357409
2-[2-(oxiran-2-ylmethoxy)phenyl]-1,3-benzothiazole
CID 23289243
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 141369709
[2-(1,3-benzothiazol-2-yl)phenyl] 2,2-dimethylbutanoate
CID 58291241
(2S)-1-[2-(1,3-benzothiazol-2-yl)phenoxy]-3-methoxypropan-2-ol
CID 167990487
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-[2-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]-1,3-benzothiazole
CID 5077722

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane (CID 170680401) is [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane is C[Si](C)(C)Oc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane?
The InChIKey is VRQNWCUOEXMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOSSi/c1-20(2,3)18-14-10-6-4-8-12(14)16-17-13-9-5-7-11-15(13)19-16/h4-11H,1-3H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane?
[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane has a molecular weight of 299.47 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane is sourced from PubChem (CID 170680401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).