methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate

C11H17NO2S2 — CID 119050119

IUPACmethyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate
SMILESCCSC(C)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H17NO2S2/c1-4-15-8(2)11-12-9(7-16-11)5-6-10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKeySWPXWJANVXMRFB-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.06
Rot. Bonds6

About methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 119050119) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate
PubChem CID119050119
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Namemethyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate
SMILESCCSC(C)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H17NO2S2/c1-4-15-8(2)11-12-9(7-16-11)5-6-10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKeySWPXWJANVXMRFB-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate 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

methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 3-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040003
methyl 3-[2-(propoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 107039684
methyl 3-[2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040035
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879
methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040655
methyl 3-[2-(2,3-dimethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040453
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
methyl 3-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040319

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate (CID 119050119) is methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate is CCSC(C)c1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is SWPXWJANVXMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-4-15-8(2)11-12-9(7-16-11)5-6-10(13)14-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 259.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 119050119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).