methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate

C11H19NO2S2Si — CID 165481196

IUPACmethyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CSCC[Si](C)(C)C)n1
InChIInChI=1S/C11H19NO2S2Si/c1-14-11(13)9-7-16-10(12-9)8-15-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyHRMQHPGYCGGIGX-UHFFFAOYSA-N
MW289.50 g/mol
LogP3.50
Rot. Bonds6

About methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate

methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate (PubChem CID 165481196) has the molecular formula C11H19NO2S2Si and a molecular weight of 289.50 g/mol. Its IUPAC name is methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate
PubChem CID165481196
Molecular FormulaC11H19NO2S2Si
Molecular Weight289.50 g/mol
Exact Mass289.06
IUPAC Namemethyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CSCC[Si](C)(C)C)n1
InChIInChI=1S/C11H19NO2S2Si/c1-14-11(13)9-7-16-10(12-9)8-15-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyHRMQHPGYCGGIGX-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422556
methyl 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylate
CID 113306479
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110460512
methyl 2-[[(2-amino-3-methylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110481468
methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110481709
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 53407511

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate (CID 165481196) is methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(CSCC[Si](C)(C)C)n1.
What is the InChIKey of methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is HRMQHPGYCGGIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2Si/c1-14-11(13)9-7-16-10(12-9)8-15-5-6-17(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 289.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 165481196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).