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

C14H15NO2S2 — CID 80573514

IUPACethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C14H15NO2S2/c1-3-17-13(16)8-11-9-19-14(15-11)10-4-6-12(18-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyVEAGCUCJSMSXOE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.64
Rot. Bonds5

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

ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 80573514) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID80573514
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Nameethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C14H15NO2S2/c1-3-17-13(16)8-11-9-19-14(15-11)10-4-6-12(18-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyVEAGCUCJSMSXOE-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507572
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate (CID 80573514) is ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2ccc(SC)cc2)n1.
What is the InChIKey of ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is VEAGCUCJSMSXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-3-17-13(16)8-11-9-19-14(15-11)10-4-6-12(18-2)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 293.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80573514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).