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

C15H16N2O3S — CID 2190686

IUPACethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccccc2)c(CC)s1
InChIInChI=1S/C15H16N2O3S/c1-3-11-12(10-8-6-5-7-9-10)16-15(21-11)17-13(18)14(19)20-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyYDYXGAWKPFHBCJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.87
Rot. Bonds4

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

ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (PubChem CID 2190686) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
PubChem CID2190686
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccccc2)c(CC)s1
InChIInChI=1S/C15H16N2O3S/c1-3-11-12(10-8-6-5-7-9-10)16-15(21-11)17-13(18)14(19)20-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyYDYXGAWKPFHBCJ-UHFFFAOYSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (CID 2190686) is ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(-c2ccccc2)c(CC)s1.
What is the InChIKey of ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The InChIKey is YDYXGAWKPFHBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-11-12(10-8-6-5-7-9-10)16-15(21-11)17-13(18)14(19)20-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate has a molecular weight of 304.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 2190686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).