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

C9H14N2O2S — CID 83668651

IUPACethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(N)n1
InChIInChI=1S/C9H14N2O2S/c1-4-13-7(12)9(2,3)6-5-14-8(10)11-6/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyMSXIJOZJYSPLGG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.57
Rot. Bonds3

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

ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate (PubChem CID 83668651) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
PubChem CID83668651
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(N)n1
InChIInChI=1S/C9H14N2O2S/c1-4-13-7(12)9(2,3)6-5-14-8(10)11-6/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyMSXIJOZJYSPLGG-UHFFFAOYSA-N
XLogP1.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.57
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)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate (CID 83668651) is ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1csc(N)n1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
The InChIKey is MSXIJOZJYSPLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-13-7(12)9(2,3)6-5-14-8(10)11-6/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate has a molecular weight of 214.29 g/mol, XLogP of 1.57, 3 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-methylpropanoate is sourced from PubChem (CID 83668651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).