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

C15H17NO2S — CID 80573399

IUPACethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cccc(C)c2C)n1
InChIInChI=1S/C15H17NO2S/c1-4-18-14(17)8-12-9-19-15(16-12)13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3
InChIKeyHZKRGQQELZVSLQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.53
Rot. Bonds4

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

ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 80573399) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID80573399
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cccc(C)c2C)n1
InChIInChI=1S/C15H17NO2S/c1-4-18-14(17)8-12-9-19-15(16-12)13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3
InChIKeyHZKRGQQELZVSLQ-UHFFFAOYSA-N
XLogP3.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
ethyl 2-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
methyl 3-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039611
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
CID 80573402
ethyl 2-[2-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 81312374
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate (CID 80573399) is ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2cccc(C)c2C)n1.
What is the InChIKey of ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is HZKRGQQELZVSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-18-14(17)8-12-9-19-15(16-12)13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 275.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80573399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).