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

C12H20N2O3S — CID 111483716

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-8(2)12(4,17)7-13-10(15)5-14-9(3)6-18-11(14)16/h6,8,17H,5,7H2,1-4H3,(H,13,15)
InChIKeyUXKJUKYGBVKRRF-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.74
Rot. Bonds5

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

N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 111483716) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID111483716
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-8(2)12(4,17)7-13-10(15)5-14-9(3)6-18-11(14)16/h6,8,17H,5,7H2,1-4H3,(H,13,15)
InChIKeyUXKJUKYGBVKRRF-UHFFFAOYSA-N
XLogP0.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17461015
N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980907
N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980908
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 61246068
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 63299009
N-[(1-hydroxycyclopentyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64196019
N-(1-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64558146
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 111483716) is N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is UXKJUKYGBVKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8(2)12(4,17)7-13-10(15)5-14-9(3)6-18-11(14)16/h6,8,17H,5,7H2,1-4H3,(H,13,15).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 0.74, 5 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)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 111483716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).