ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate

C13H22N2O3S — CID 113369946

IUPACethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(N(C)CCOC)n1
InChIInChI=1S/C13H22N2O3S/c1-6-18-11(16)13(2,3)10-9-19-12(14-10)15(4)7-8-17-5/h9H,6-8H2,1-5H3
InChIKeyBFSCCARAFWGMJR-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.07
Rot. Bonds7

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

ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate (PubChem CID 113369946) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
PubChem CID113369946
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(N(C)CCOC)n1
InChIInChI=1S/C13H22N2O3S/c1-6-18-11(16)13(2,3)10-9-19-12(14-10)15(4)7-8-17-5/h9H,6-8H2,1-5H3
InChIKeyBFSCCARAFWGMJR-UHFFFAOYSA-N
XLogP2.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 104766936
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103347819
ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103570052
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445
ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 102949786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate (CID 113369946) is ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1csc(N(C)CCOC)n1.
What is the InChIKey of ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate?
The InChIKey is BFSCCARAFWGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-6-18-11(16)13(2,3)10-9-19-12(14-10)15(4)7-8-17-5/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate?
ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate has a molecular weight of 286.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate is sourced from PubChem (CID 113369946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).