ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate

C13H22N2O3S — CID 103488236

IUPACethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCOCCN(C)c1nc(CCC(=O)OCC)cs1
InChIInChI=1S/C13H22N2O3S/c1-4-17-9-8-15(3)13-14-11(10-19-13)6-7-12(16)18-5-2/h10H,4-9H2,1-3H3
InChIKeyNONLZZJPCJXSLX-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.11
Rot. Bonds9

About ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103488236) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID103488236
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nameethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCOCCN(C)c1nc(CCC(=O)OCC)cs1
InChIInChI=1S/C13H22N2O3S/c1-4-17-9-8-15(3)13-14-11(10-19-13)6-7-12(16)18-5-2/h10H,4-9H2,1-3H3
InChIKeyNONLZZJPCJXSLX-UHFFFAOYSA-N
XLogP2.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-[methyl(2-methylbutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486175
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103487703
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486127
ethyl 3-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486910
methyl 3-[2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040512
4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 67962478
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate (CID 103488236) is ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate is CCOCCN(C)c1nc(CCC(=O)OCC)cs1.
What is the InChIKey of ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is NONLZZJPCJXSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-17-9-8-15(3)13-14-11(10-19-13)6-7-12(16)18-5-2/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 286.40 g/mol, XLogP of 2.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103488236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).