ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate

C16H29NO3SSi — CID 163219344

IUPACethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(C)C)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO3SSi/c1-9-19-15(18)13-12(17-14(21-13)11(2)3)10-20-22(7,8)16(4,5)6/h11H,9-10H2,1-8H3
InChIKeyFESKUBZLYLYOPV-UHFFFAOYSA-N
MW343.57 g/mol
LogP4.97
Rot. Bonds6

About ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate

ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 163219344) has the molecular formula C16H29NO3SSi and a molecular weight of 343.57 g/mol. Its IUPAC name is ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID163219344
Molecular FormulaC16H29NO3SSi
Molecular Weight343.57 g/mol
Exact Mass343.16
IUPAC Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(C)C)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO3SSi/c1-9-19-15(18)13-12(17-14(21-13)11(2)3)10-20-22(7,8)16(4,5)6/h11H,9-10H2,1-8H3
InChIKeyFESKUBZLYLYOPV-UHFFFAOYSA-N
XLogP4.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.57
LogP ≤ 54.97
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 ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate (CID 163219344) is ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C(C)C)nc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is FESKUBZLYLYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3SSi/c1-9-19-15(18)13-12(17-14(21-13)11(2)3)10-20-22(7,8)16(4,5)6/h11H,9-10H2,1-8H3.
What are the key properties of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate?
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 343.57 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 163219344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).