4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde

C12H21NO2SSi — CID 131745469

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21NO2SSi/c1-9-10(13-11(7-14)16-9)8-15-17(5,6)12(2,3)4/h7H,8H2,1-6H3
InChIKeySEEFVVGBDUFCEU-UHFFFAOYSA-N
MW271.46 g/mol
LogP3.79
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 131745469) has the molecular formula C12H21NO2SSi and a molecular weight of 271.46 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID131745469
Molecular FormulaC12H21NO2SSi
Molecular Weight271.46 g/mol
Exact Mass271.11
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21NO2SSi/c1-9-10(13-11(7-14)16-9)8-15-17(5,6)12(2,3)4/h7H,8H2,1-6H3
InChIKeySEEFVVGBDUFCEU-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde
CID 131745495
tert-butyl-[(2,5-dimethylthiophen-3-yl)methoxy]-dimethylsilane
CID 175923025
4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde
CID 138991010
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate
CID 163219344
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbaldehyde
CID 6425101
tert-butyl-[(6-chloro-4-methyl-2-pyridinyl)methoxy]-dimethylsilane
CID 177328757
(2-bromo-6-methyl-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 142618982
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde
CID 175822423
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-difluorocyclopropyl)-1,3-thiazole-5-carboxylic acid
CID 175740928
5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
CID 131735364

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde (CID 131745469) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde is Cc1sc(C=O)nc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is SEEFVVGBDUFCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2SSi/c1-9-10(13-11(7-14)16-9)8-15-17(5,6)12(2,3)4/h7H,8H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 271.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 131745469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).