ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate

C11H18N2O2S — CID 141354069

IUPACethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate
SMILESCCCCC(C(=O)OCC)c1csc(N)n1
InChIInChI=1S/C11H18N2O2S/c1-3-5-6-8(10(14)15-4-2)9-7-16-11(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyYYKKZLLMLXZGPE-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.56
Rot. Bonds6

About ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate

ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate (PubChem CID 141354069) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate
PubChem CID141354069
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate
SMILESCCCCC(C(=O)OCC)c1csc(N)n1
InChIInChI=1S/C11H18N2O2S/c1-3-5-6-8(10(14)15-4-2)9-7-16-11(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyYYKKZLLMLXZGPE-UHFFFAOYSA-N
XLogP2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate (CID 141354069) is ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate is CCCCC(C(=O)OCC)c1csc(N)n1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate?
The InChIKey is YYKKZLLMLXZGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-5-6-8(10(14)15-4-2)9-7-16-11(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate?
ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate has a molecular weight of 242.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate is sourced from PubChem (CID 141354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).