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

C12H13NO2S2 — CID 80574122

IUPACethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cscc2C)n1
InChIInChI=1S/C12H13NO2S2/c1-3-15-11(14)4-9-6-17-12(13-9)10-7-16-5-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyJSIKTTZWWDKUOJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.29
Rot. Bonds4

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

ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80574122) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80574122
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Nameethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cscc2C)n1
InChIInChI=1S/C12H13NO2S2/c1-3-15-11(14)4-9-6-17-12(13-9)10-7-16-5-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyJSIKTTZWWDKUOJ-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
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-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 112670102
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-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 81312374
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate (CID 80574122) is ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2cscc2C)n1.
What is the InChIKey of ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is JSIKTTZWWDKUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-15-11(14)4-9-6-17-12(13-9)10-7-16-5-8(10)2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 267.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).