ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate

C12H17NO3S — CID 80574312

IUPACethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2(C)CCCO2)n1
InChIInChI=1S/C12H17NO3S/c1-3-15-10(14)7-9-8-17-11(13-9)12(2)5-4-6-16-12/h8H,3-7H2,1-2H3
InChIKeyXWJQUCYLEOMKHV-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80574312) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80574312
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2(C)CCCO2)n1
InChIInChI=1S/C12H17NO3S/c1-3-15-10(14)7-9-8-17-11(13-9)12(2)5-4-6-16-12/h8H,3-7H2,1-2H3
InChIKeyXWJQUCYLEOMKHV-UHFFFAOYSA-N
XLogP2.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
CID 116744539
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
CID 80573999
2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 80681111
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
ethyl 2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575211
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate (CID 80574312) is ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C2(C)CCCO2)n1.
What is the InChIKey of ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is XWJQUCYLEOMKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-15-10(14)7-9-8-17-11(13-9)12(2)5-4-6-16-12/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 255.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).