N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide

C11H16N2O2S — CID 166878823

IUPACN-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1nc(C(=O)C(=O)NC(C)(C)C)sc1C
InChIInChI=1S/C11H16N2O2S/c1-6-7(2)16-10(12-6)8(14)9(15)13-11(3,4)5/h1-5H3,(H,13,15)
InChIKeyWLNLWTDOAHSVIH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.86
Rot. Bonds2

About N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide

N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide (PubChem CID 166878823) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide
PubChem CID166878823
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1nc(C(=O)C(=O)NC(C)(C)C)sc1C
InChIInChI=1S/C11H16N2O2S/c1-6-7(2)16-10(12-6)8(14)9(15)13-11(3,4)5/h1-5H3,(H,13,15)
InChIKeyWLNLWTDOAHSVIH-UHFFFAOYSA-N
XLogP1.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide 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 N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide (CID 166878823) is N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide is Cc1nc(C(=O)C(=O)NC(C)(C)C)sc1C.
What is the InChIKey of N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The InChIKey is WLNLWTDOAHSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6-7(2)16-10(12-6)8(14)9(15)13-11(3,4)5/h1-5H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide?
N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide has a molecular weight of 240.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 166878823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).