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

C12H11N3O3S — CID 13177646

IUPACethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H11N3O3S/c1-2-18-11(17)10(16)15-12-14-9(7-19-12)8-4-3-5-13-6-8/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyTTWJGUPOFSZOEO-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.71
Rot. Bonds3

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

ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 13177646) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate
PubChem CID13177646
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Nameethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H11N3O3S/c1-2-18-11(17)10(16)15-12-14-9(7-19-12)8-4-3-5-13-6-8/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyTTWJGUPOFSZOEO-UHFFFAOYSA-N
XLogP1.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
Ethyl 2-oxo-2-((4-phenyl-2-thiazolyl)amino)acetate
CID 1861346
N-[4-(3-pyridylethynyl)-2-thiazolyl]acetamide
CID 11615675
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate
CID 2412869
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
1-(2-Methoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 49846136
1-[4-Methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]-3-(2-propoxyethyl)urea
CID 49846291
1-(2-Ethoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 49847243
Ethyl [(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino](oxo)acetate
CID 2190686
Ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2314998
N-methyl-2-oxo-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)nonanediamide
CID 44456992
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)oxamide
CID 1878990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate (CID 13177646) is ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)C(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is TTWJGUPOFSZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-2-18-11(17)10(16)15-12-14-9(7-19-12)8-4-3-5-13-6-8/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 277.31 g/mol, XLogP of 1.71, 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-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 13177646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).