ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate

C11H16N2O3S — CID 3452736

IUPACethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H16N2O3S/c1-5-16-9(15)8(14)13-10-12-7(6-17-10)11(2,3)4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyQINJZMUBFKMKGF-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.94
Rot. Bonds2

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

ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (PubChem CID 3452736) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
PubChem CID3452736
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H16N2O3S/c1-5-16-9(15)8(14)13-10-12-7(6-17-10)11(2,3)4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyQINJZMUBFKMKGF-UHFFFAOYSA-N
XLogP1.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (CID 3452736) is ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The InChIKey is QINJZMUBFKMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-5-16-9(15)8(14)13-10-12-7(6-17-10)11(2,3)4/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate has a molecular weight of 256.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 3452736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).