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

C11H18N2O2S — CID 138673569

IUPACethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1csc(N)n1
InChIInChI=1S/C11H18N2O2S/c1-4-11(5-2,9(14)15-6-3)8-7-16-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
InChIKeyMVILWFDAOOWUGL-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.35
Rot. Bonds5

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

ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate (PubChem CID 138673569) 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)-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
PubChem CID138673569
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1csc(N)n1
InChIInChI=1S/C11H18N2O2S/c1-4-11(5-2,9(14)15-6-3)8-7-16-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
InChIKeyMVILWFDAOOWUGL-UHFFFAOYSA-N
XLogP2.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-ethyl 5-O-methyl (2S)-2-(2-amino-1,3-thiazol-4-yl)-2-propylpentanedioate
CID 2055170
3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
CID 174520084
[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 153327398
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate
CID 174539726
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 14865019
methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
CID 112752454
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 21075145
ethyl 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79471825
ethyl 2-ethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79472355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate (CID 138673569) is ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate is CCOC(=O)C(CC)(CC)c1csc(N)n1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate?
The InChIKey is MVILWFDAOOWUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-11(5-2,9(14)15-6-3)8-7-16-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate?
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate has a molecular weight of 242.34 g/mol, XLogP of 2.35, 5 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)-2-ethylbutanoate is sourced from PubChem (CID 138673569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).