ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate

C13H15NO2S2 — CID 80573381

IUPACethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(CC)s2)n1
InChIInChI=1S/C13H15NO2S2/c1-3-10-5-6-11(18-10)13-14-9(8-17-13)7-12(15)16-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZNKDLLVJRAIABX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.54
Rot. Bonds5

About ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80573381) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80573381
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Nameethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(CC)s2)n1
InChIInChI=1S/C13H15NO2S2/c1-3-10-5-6-11(18-10)13-14-9(8-17-13)7-12(15)16-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZNKDLLVJRAIABX-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
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
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
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-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate (CID 80573381) is ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2ccc(CC)s2)n1.
What is the InChIKey of ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZNKDLLVJRAIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-3-10-5-6-11(18-10)13-14-9(8-17-13)7-12(15)16-4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 281.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80573381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).