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

C14H22N2O2S — CID 103487842

IUPACethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N2CC(C)C(C)C2)n1
InChIInChI=1S/C14H22N2O2S/c1-4-18-13(17)6-5-12-9-19-14(15-12)16-7-10(2)11(3)8-16/h9-11H,4-8H2,1-3H3
InChIKeyGFKPPEOFCWWWND-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.73
Rot. Bonds5

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

ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103487842) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID103487842
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N2CC(C)C(C)C2)n1
InChIInChI=1S/C14H22N2O2S/c1-4-18-13(17)6-5-12-9-19-14(15-12)16-7-10(2)11(3)8-16/h9-11H,4-8H2,1-3H3
InChIKeyGFKPPEOFCWWWND-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487545
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487203
ethyl 3-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]propanoate
CID 103488250
ethyl 3-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486045
methyl 3-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040545
ethyl 3-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487795
ethyl 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]propanoate
CID 103487542
ethyl 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 103541690
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate (CID 103487842) is ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(N2CC(C)C(C)C2)n1.
What is the InChIKey of ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is GFKPPEOFCWWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-18-13(17)6-5-12-9-19-14(15-12)16-7-10(2)11(3)8-16/h9-11H,4-8H2,1-3H3.
What are the key properties of ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 282.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103487842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).