methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate

C20H27NO4SSi — CID 160798624

IUPACmethyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc([Si](C)(C)C)c2)sc1CC(=O)OC(C)(C)C
InChIInChI=1S/C20H27NO4SSi/c1-20(2,3)25-16(22)12-15-17(19(23)24-4)21-18(26-15)13-9-8-10-14(11-13)27(5,6)7/h8-11H,12H2,1-7H3
InChIKeyYGKRBKUBIMQOQI-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.03
Rot. Bonds5

About methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate

methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 160798624) has the molecular formula C20H27NO4SSi and a molecular weight of 405.59 g/mol. Its IUPAC name is methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID160798624
Molecular FormulaC20H27NO4SSi
Molecular Weight405.59 g/mol
Exact Mass405.14
IUPAC Namemethyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc([Si](C)(C)C)c2)sc1CC(=O)OC(C)(C)C
InChIInChI=1S/C20H27NO4SSi/c1-20(2,3)25-16(22)12-15-17(19(23)24-4)21-18(26-15)13-9-8-10-14(11-13)27(5,6)7/h8-11H,12H2,1-7H3
InChIKeyYGKRBKUBIMQOQI-UHFFFAOYSA-N
XLogP4.03
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
methyl 2-(3-ethynylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-thiazole-4-carboxylate
CID 145143106
methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 66107125
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
CID 124635200
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058
tert-butyl N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 56520607
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602
methyl 2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306371

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate (CID 160798624) is methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cccc([Si](C)(C)C)c2)sc1CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is YGKRBKUBIMQOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4SSi/c1-20(2,3)25-16(22)12-15-17(19(23)24-4)21-18(26-15)13-9-8-10-14(11-13)27(5,6)7/h8-11H,12H2,1-7H3.
What are the key properties of methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate?
methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 405.59 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-trimethylsilylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 160798624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).