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

C16H14N2O2S — CID 80573402

IUPACethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H14N2O2S/c1-2-20-15(19)9-12-10-21-16(17-12)14-8-7-11-5-3-4-6-13(11)18-14/h3-8,10H,2,9H2,1H3
InChIKeyUFMKCYVARWPIJK-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.46
Rot. Bonds4

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

ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 80573402) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID80573402
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Nameethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H14N2O2S/c1-2-20-15(19)9-12-10-21-16(17-12)14-8-7-11-5-3-4-6-13(11)18-14/h3-8,10H,2,9H2,1H3
InChIKeyUFMKCYVARWPIJK-UHFFFAOYSA-N
XLogP3.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 81312374
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
CID 63222410
ethyl 2-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
CID 80573381
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate (CID 80573402) is ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1csc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is UFMKCYVARWPIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-15(19)9-12-10-21-16(17-12)14-8-7-11-5-3-4-6-13(11)18-14/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 298.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 80573402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).