N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C12H20N2O2S — CID 46419922

IUPACN-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C12H20N2O2S/c1-5-12(3,4)13-10(15)6-7-14-9(2)8-17-11(14)16/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyGBUIXLUUSNYDSL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.91
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 46419922) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID46419922
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C12H20N2O2S/c1-5-12(3,4)13-10(15)6-7-14-9(2)8-17-11(14)16/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyGBUIXLUUSNYDSL-UHFFFAOYSA-N
XLogP1.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide 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-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 46419922) is N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is CCC(C)(C)NC(=O)CCn1c(C)csc1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is GBUIXLUUSNYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-12(3,4)13-10(15)6-7-14-9(2)8-17-11(14)16/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 256.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 46419922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).