ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate

C7H10N2O2S — CID 717815

IUPACethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyJAZQWKNSZPGYPK-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.83
Rot. Bonds3

About ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate

ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate (PubChem CID 717815) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
PubChem CID717815
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyJAZQWKNSZPGYPK-UHFFFAOYSA-N
XLogP0.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.83
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-5-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate (CID 717815) is ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate is CCOC(=O)Cc1cnc(N)s1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The InChIKey is JAZQWKNSZPGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3,(H2,8,9).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate has a molecular weight of 186.24 g/mol, XLogP of 0.83, 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-5-yl)acetate is sourced from PubChem (CID 717815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).