ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate

C11H10N2O3S2 — CID 3068156

IUPACethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C11H10N2O3S2/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyMRIVUSUMVVVZHI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.37
Rot. Bonds3

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

ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 3068156) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
PubChem CID3068156
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Nameethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C11H10N2O3S2/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyMRIVUSUMVVVZHI-UHFFFAOYSA-N
XLogP2.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate (CID 3068156) is ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)C(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is MRIVUSUMVVVZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 282.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 3068156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).