tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate

C11H15NO3S — CID 158284808

IUPACtert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
SMILESCC(=O)c1cnc(CC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H15NO3S/c1-7(13)8-6-12-9(16-8)5-10(14)15-11(2,3)4/h6H,5H2,1-4H3
InChIKeyGKQKUHSKUNOWKD-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate

tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate (PubChem CID 158284808) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
PubChem CID158284808
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Nametert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
SMILESCC(=O)c1cnc(CC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H15NO3S/c1-7(13)8-6-12-9(16-8)5-10(14)15-11(2,3)4/h6H,5H2,1-4H3
InChIKeyGKQKUHSKUNOWKD-UHFFFAOYSA-N
XLogP2.23
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
CID 106815106
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 62652802
tert-butyl 2-(4-bromo-7-fluoro-1,3-benzothiazol-2-yl)acetate
CID 157269363
tert-butyl N-[[5-[(Z)-N'-hydroxycarbamimidoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 163225686
tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate
CID 161167715
methyl 2-(5-fluoro-1,3-thiazol-2-yl)acetate
CID 131118432
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-(1,3-thiazol-2-yl)acetate;1,3-thiazol-2-amine
CID 159774779
1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 63036168
1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate (CID 158284808) is tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate is CC(=O)c1cnc(CC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate?
The InChIKey is GKQKUHSKUNOWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(13)8-6-12-9(16-8)5-10(14)15-11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate?
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate has a molecular weight of 241.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 158284808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).