ethyl 2-(1,3-thiazol-2-ylamino)acetate

C7H10N2O2S — CID 14947017

IUPACethyl 2-(1,3-thiazol-2-ylamino)acetate
SMILESCCOC(=O)CNc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-2-11-6(10)5-9-7-8-3-4-12-7/h3-4H,2,5H2,1H3,(H,8,9)
InChIKeyYTGYUERWXQQHKL-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.12
Rot. Bonds4

About ethyl 2-(1,3-thiazol-2-ylamino)acetate

ethyl 2-(1,3-thiazol-2-ylamino)acetate (PubChem CID 14947017) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-ylamino)acetate
PubChem CID14947017
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-(1,3-thiazol-2-ylamino)acetate
SMILESCCOC(=O)CNc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-2-11-6(10)5-9-7-8-3-4-12-7/h3-4H,2,5H2,1H3,(H,8,9)
InChIKeyYTGYUERWXQQHKL-UHFFFAOYSA-N
XLogP1.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-ylamino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-ylamino)acetate (CID 14947017) is ethyl 2-(1,3-thiazol-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-ylamino)acetate is CCOC(=O)CNc1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-ylamino)acetate?
The InChIKey is YTGYUERWXQQHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-6(10)5-9-7-8-3-4-12-7/h3-4H,2,5H2,1H3,(H,8,9).
What are the key properties of ethyl 2-(1,3-thiazol-2-ylamino)acetate?
ethyl 2-(1,3-thiazol-2-ylamino)acetate has a molecular weight of 186.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-ylamino)acetate is sourced from PubChem (CID 14947017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).