ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate

C15H23NO2S — CID 80602146

IUPACethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(C2CCCCCCC2)n1
InChIInChI=1S/C15H23NO2S/c1-2-18-14(17)10-13-11-19-15(16-13)12-8-6-4-3-5-7-9-12/h11-12H,2-10H2,1H3
InChIKeyPIFQBXOQBRZPFU-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.08
Rot. Bonds4

About ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate

ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate (PubChem CID 80602146) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
PubChem CID80602146
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(C2CCCCCCC2)n1
InChIInChI=1S/C15H23NO2S/c1-2-18-14(17)10-13-11-19-15(16-13)12-8-6-4-3-5-7-9-12/h11-12H,2-10H2,1H3
InChIKeyPIFQBXOQBRZPFU-UHFFFAOYSA-N
XLogP4.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
CID 80573665
ethyl 2-[2-(1-prop-2-enoylpiperidin-4-yl)-1,3-thiazol-4-yl]acetate
CID 166408511
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575965
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 154793219
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 103485335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate (CID 80602146) is ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1csc(C2CCCCCCC2)n1.
What is the InChIKey of ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate?
The InChIKey is PIFQBXOQBRZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-18-14(17)10-13-11-19-15(16-13)12-8-6-4-3-5-7-9-12/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate has a molecular weight of 281.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 80602146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).