methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate

C14H15NO2S2 — CID 106847709

IUPACmethyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCSc1ccc(-c2nc(CC(=O)OC)cs2)cc1
InChIInChI=1S/C14H15NO2S2/c1-3-18-12-6-4-10(5-7-12)14-15-11(9-19-14)8-13(16)17-2/h4-7,9H,3,8H2,1-2H3
InChIKeyDCPADXLGBGDJHP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.64
Rot. Bonds5

About methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 106847709) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID106847709
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCSc1ccc(-c2nc(CC(=O)OC)cs2)cc1
InChIInChI=1S/C14H15NO2S2/c1-3-18-12-6-4-10(5-7-12)14-15-11(9-19-14)8-13(16)17-2/h4-7,9H,3,8H2,1-2H3
InChIKeyDCPADXLGBGDJHP-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

2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 106849859
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
methyl 2-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574289
methyl 2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 91434658
[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892116
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate (CID 106847709) is methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate is CCSc1ccc(-c2nc(CC(=O)OC)cs2)cc1.
What is the InChIKey of methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is DCPADXLGBGDJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-3-18-12-6-4-10(5-7-12)14-15-11(9-19-14)8-13(16)17-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(4-ethylsulfanylphenyl)-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 methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 106847709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).