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

C8H12N2O2S — CID 11310165

IUPACethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(N)n1
InChIInChI=1S/C8H12N2O2S/c1-2-12-7(11)4-3-6-5-13-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)
InChIKeyHGNVJXZPBVJKJH-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.22
Rot. Bonds4

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

ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate (PubChem CID 11310165) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
PubChem CID11310165
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(N)n1
InChIInChI=1S/C8H12N2O2S/c1-2-12-7(11)4-3-6-5-13-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)
InChIKeyHGNVJXZPBVJKJH-UHFFFAOYSA-N
XLogP1.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate (CID 11310165) is ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate is CCOC(=O)CCc1csc(N)n1.
What is the InChIKey of ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
The InChIKey is HGNVJXZPBVJKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-7(11)4-3-6-5-13-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10).
What are the key properties of ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate has a molecular weight of 200.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 11310165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).