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

C13H22N2O3S — CID 111484233

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)13(4,18)8-14-11(16)5-6-15-10(3)7-19-12(15)17/h7,9,18H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyCALHOTYRUDTKQK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.13
Rot. Bonds6

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

N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 111484233) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID111484233
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)13(4,18)8-14-11(16)5-6-15-10(3)7-19-12(15)17/h7,9,18H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyCALHOTYRUDTKQK-UHFFFAOYSA-N
XLogP1.13
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2,3-dimethylbutyl)-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

Related Compounds

N-(3-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 17402743
N-[(2R)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 25401106
N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 41090948
N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65109711
N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65112118
N-(2-ethyl-2-hydroxybutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114072
N-(2-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114407
N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65114801
N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 66178759
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 86807896
N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103712921
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103839631

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 111484233) is N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is CALHOTYRUDTKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)13(4,18)8-14-11(16)5-6-15-10(3)7-19-12(15)17/h7,9,18H,5-6,8H2,1-4H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 286.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 111484233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).