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

C11H19NO2SSi — CID 91732954

IUPAC[tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H19NO2SSi/c1-8-9(15-7-12-8)10(13)14-16(5,6)11(2,3)4/h7H,1-6H3
InChIKeyRDBMWXILGMFKCE-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.61
Rot. Bonds2

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

[tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 91732954) has the molecular formula C11H19NO2SSi and a molecular weight of 257.43 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID91732954
Molecular FormulaC11H19NO2SSi
Molecular Weight257.43 g/mol
Exact Mass257.09
IUPAC Name[tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H19NO2SSi/c1-8-9(15-7-12-8)10(13)14-16(5,6)11(2,3)4/h7H,1-6H3
InChIKeyRDBMWXILGMFKCE-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate (CID 91732954) is [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate is Cc1ncsc1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is RDBMWXILGMFKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2SSi/c1-8-9(15-7-12-8)10(13)14-16(5,6)11(2,3)4/h7H,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate?
[tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 257.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 91732954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).