ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate

C12H20N2O2S — CID 115679802

IUPACethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1ncc(CC)s1
InChIInChI=1S/C12H20N2O2S/c1-5-10-7-13-11(17-10)8(3)14-9(4)12(15)16-6-2/h7-9,14H,5-6H2,1-4H3
InChIKeyFDLTXHBJQOGPBI-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.31
Rot. Bonds6

About ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate

ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate (PubChem CID 115679802) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
PubChem CID115679802
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1ncc(CC)s1
InChIInChI=1S/C12H20N2O2S/c1-5-10-7-13-11(17-10)8(3)14-9(4)12(15)16-6-2/h7-9,14H,5-6H2,1-4H3
InChIKeyFDLTXHBJQOGPBI-UHFFFAOYSA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide
CID 115679811
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
CID 113387190
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 112700494
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate (CID 115679802) is ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1ncc(CC)s1.
What is the InChIKey of ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate?
The InChIKey is FDLTXHBJQOGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-10-7-13-11(17-10)8(3)14-9(4)12(15)16-6-2/h7-9,14H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate?
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate has a molecular weight of 256.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate is sourced from PubChem (CID 115679802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).