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

C11H17NO2S — CID 58560957

IUPACethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H17NO2S/c1-5-14-9(13)6-8-7-12-10(15-8)11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyGNJMBFDEGKYZIJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.55
Rot. Bonds3

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

ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate (PubChem CID 58560957) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
PubChem CID58560957
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nameethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H17NO2S/c1-5-14-9(13)6-8-7-12-10(15-8)11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyGNJMBFDEGKYZIJ-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
tert-butyl 4-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84820065
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 66223898
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-4-methylaniline
CID 63120648
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline
CID 63120786
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 11199690
2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate (CID 58560957) is ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate is CCOC(=O)Cc1cnc(C(C)(C)C)s1.
What is the InChIKey of ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate?
The InChIKey is GNJMBFDEGKYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-14-9(13)6-8-7-12-10(15-8)11(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate has a molecular weight of 227.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 58560957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).