ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate

C8H12N2O3S — CID 106380900

IUPACethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-2-13-7(11)4-9-3-6-5-14-8(12)10-6/h5,9H,2-4H2,1H3,(H,10,12)
InChIKeyLQGSTUANEJERFM-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.09
Rot. Bonds5

About ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate

ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate (PubChem CID 106380900) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate
PubChem CID106380900
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Nameethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-2-13-7(11)4-9-3-6-5-14-8(12)10-6/h5,9H,2-4H2,1H3,(H,10,12)
InChIKeyLQGSTUANEJERFM-UHFFFAOYSA-N
XLogP0.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate (CID 106380900) is ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate is CCOC(=O)CNCc1csc(=O)[nH]1.
What is the InChIKey of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate?
The InChIKey is LQGSTUANEJERFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-13-7(11)4-9-3-6-5-14-8(12)10-6/h5,9H,2-4H2,1H3,(H,10,12).
What are the key properties of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate?
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate has a molecular weight of 216.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate is sourced from PubChem (CID 106380900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).