ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C15H16N2O5S — CID 13177572

IUPACethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C15H16N2O5S/c1-4-22-14(19)13(18)17-15-16-11(8-23-15)10-7-9(20-2)5-6-12(10)21-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyGCJSVXIJFGDFFH-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 13177572) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID13177572
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Nameethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C15H16N2O5S/c1-4-22-14(19)13(18)17-15-16-11(8-23-15)10-7-9(20-2)5-6-12(10)21-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyGCJSVXIJFGDFFH-UHFFFAOYSA-N
XLogP2.33
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 13177572) is ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is GCJSVXIJFGDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-4-22-14(19)13(18)17-15-16-11(8-23-15)10-7-9(20-2)5-6-12(10)21-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 336.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 13177572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).