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

C10H15NO3S — CID 78992497

IUPACmethyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(C)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C10H15NO3S/c1-4-14-7(2)10-11-8(6-15-10)5-9(12)13-3/h6-7H,4-5H2,1-3H3
InChIKeyKOPXBRFIWYVLDH-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.96
Rot. Bonds5

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

methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate (PubChem CID 78992497) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
PubChem CID78992497
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(C)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C10H15NO3S/c1-4-14-7(2)10-11-8(6-15-10)5-9(12)13-3/h6-7H,4-5H2,1-3H3
InChIKeyKOPXBRFIWYVLDH-UHFFFAOYSA-N
XLogP1.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 167826871
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111539509
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 86964837
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 86964848
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate (CID 78992497) is methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate is CCOC(C)c1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is KOPXBRFIWYVLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-14-7(2)10-11-8(6-15-10)5-9(12)13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 229.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78992497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).