ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate

C15H24N2O3S — CID 103487203

IUPACethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N2CCCC(OCC)C2)n1
InChIInChI=1S/C15H24N2O3S/c1-3-19-13-6-5-9-17(10-13)15-16-12(11-21-15)7-8-14(18)20-4-2/h11,13H,3-10H2,1-2H3
InChIKeyDSQGLQSPBFDYMF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.64
Rot. Bonds7

About ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103487203) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID103487203
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nameethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N2CCCC(OCC)C2)n1
InChIInChI=1S/C15H24N2O3S/c1-3-19-13-6-5-9-17(10-13)15-16-12(11-21-15)7-8-14(18)20-4-2/h11,13H,3-10H2,1-2H3
InChIKeyDSQGLQSPBFDYMF-UHFFFAOYSA-N
XLogP2.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575700
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842
methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
ethyl 3-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486045
ethyl 3-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487545
ethyl 3-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]propanoate
CID 103488250
ethyl 3-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487795
4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]propanoate
CID 103487542
ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate (CID 103487203) is ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(N2CCCC(OCC)C2)n1.
What is the InChIKey of ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is DSQGLQSPBFDYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-19-13-6-5-9-17(10-13)15-16-12(11-21-15)7-8-14(18)20-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 312.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103487203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).