[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane

C12H21NO3SSi — CID 134923302

IUPAC[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
SMILESCC1(C)OC[C@H]([C@H](O[Si](C)(C)C)c2nccs2)O1
InChIInChI=1S/C12H21NO3SSi/c1-12(2)14-8-9(15-12)10(16-18(3,4)5)11-13-6-7-17-11/h6-7,9-10H,8H2,1-5H3/t9-,10+/m1/s1
InChIKeyRYFJVUSQZHRGIV-ZJUUUORDSA-N
MW287.46 g/mol
LogP3.19
Rot. Bonds4

About [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane

[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane (PubChem CID 134923302) has the molecular formula C12H21NO3SSi and a molecular weight of 287.46 g/mol. Its IUPAC name is [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane.

Molecular Properties

Compound Name[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
PubChem CID134923302
Molecular FormulaC12H21NO3SSi
Molecular Weight287.46 g/mol
Exact Mass287.10
IUPAC Name[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
SMILESCC1(C)OC[C@H]([C@H](O[Si](C)(C)C)c2nccs2)O1
InChIInChI=1S/C12H21NO3SSi/c1-12(2)14-8-9(15-12)10(16-18(3,4)5)11-13-6-7-17-11/h6-7,9-10H,8H2,1-5H3/t9-,10+/m1/s1
InChIKeyRYFJVUSQZHRGIV-ZJUUUORDSA-N
XLogP3.19
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
The IUPAC name of [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane (CID 134923302) is [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane.
What is the SMILES notation for [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
The canonical SMILES for [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane is CC1(C)OC[C@H]([C@H](O[Si](C)(C)C)c2nccs2)O1.
What is the InChIKey of [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
The InChIKey is RYFJVUSQZHRGIV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21NO3SSi/c1-12(2)14-8-9(15-12)10(16-18(3,4)5)11-13-6-7-17-11/h6-7,9-10H,8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane has a molecular weight of 287.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane is sourced from PubChem (CID 134923302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).