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

C17H19NOSSi — CID 13485204

IUPAC[1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C17H19NOSSi/c1-21(2,3)19-16(13-9-5-4-6-10-13)17-18-14-11-7-8-12-15(14)20-17/h4-12,16H,1-3H3
InChIKeyPELDVIYHPNLNAU-UHFFFAOYSA-N
MW313.50 g/mol
LogP5.24
Rot. Bonds4

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

[1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane (PubChem CID 13485204) has the molecular formula C17H19NOSSi and a molecular weight of 313.50 g/mol. Its IUPAC name is [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane.

Molecular Properties

Compound Name[1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane
PubChem CID13485204
Molecular FormulaC17H19NOSSi
Molecular Weight313.50 g/mol
Exact Mass313.10
IUPAC Name[1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C17H19NOSSi/c1-21(2,3)19-16(13-9-5-4-6-10-13)17-18-14-11-7-8-12-15(14)20-17/h4-12,16H,1-3H3
InChIKeyPELDVIYHPNLNAU-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.50
LogP ≤ 55.24
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

fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide
CID 87443913
1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
CID 647548
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
CID 112672683
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
1-(1,3-benzothiazol-2-yl)ethyl methanesulfonate
CID 18932378
methyl 2-(1,3-benzothiazol-2-yl)-2-hydroxyacetate
CID 45077460
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
1-(1,3-benzothiazol-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720318
[3-(1,3-benzothiazol-2-yl)-3-[[1-(1,3-benzothiazol-2-yl)-3-triethoxysilylpropyl]disulfanyl]propyl]-triethoxysilane
CID 57142754

Frequently Asked Questions

What is the IUPAC name of [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane?
The IUPAC name of [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane (CID 13485204) is [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane.
What is the SMILES notation for [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane?
The canonical SMILES for [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane?
The InChIKey is PELDVIYHPNLNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOSSi/c1-21(2,3)19-16(13-9-5-4-6-10-13)17-18-14-11-7-8-12-15(14)20-17/h4-12,16H,1-3H3.
What are the key properties of [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane?
[1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane has a molecular weight of 313.50 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane is sourced from PubChem (CID 13485204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).