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

C9H14N2O2S — CID 71307709

IUPACethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate
SMILESCCOC(=O)C(CC)c1csc(N)n1
InChIInChI=1S/C9H14N2O2S/c1-3-6(8(12)13-4-2)7-5-14-9(10)11-7/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKeyZKPUWDUVLLOOQK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.78
Rot. Bonds4

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

ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate (PubChem CID 71307709) 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)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate
PubChem CID71307709
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate
SMILESCCOC(=O)C(CC)c1csc(N)n1
InChIInChI=1S/C9H14N2O2S/c1-3-6(8(12)13-4-2)7-5-14-9(10)11-7/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKeyZKPUWDUVLLOOQK-UHFFFAOYSA-N
XLogP1.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.78
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)butanoate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate (CID 71307709) is ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate is CCOC(=O)C(CC)c1csc(N)n1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate?
The InChIKey is ZKPUWDUVLLOOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-6(8(12)13-4-2)7-5-14-9(10)11-7/h5-6H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate?
ethyl 2-(2-amino-1,3-thiazol-4-yl)butanoate has a molecular weight of 214.29 g/mol, XLogP of 1.78, 4 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)butanoate is sourced from PubChem (CID 71307709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).