N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C12H20N2O3S — CID 65112118

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-4-12(17,5-2)8-13-10(15)6-14-9(3)7-18-11(14)16/h7,17H,4-6,8H2,1-3H3,(H,13,15)
InChIKeyPUICLYZEKRJJCG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 65112118) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID65112118
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-4-12(17,5-2)8-13-10(15)6-14-9(3)7-18-11(14)16/h7,17H,4-6,8H2,1-3H3,(H,13,15)
InChIKeyPUICLYZEKRJJCG-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 55082208
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-hydroxycycloheptyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64445069
N-(1-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64558146
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64869145
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
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-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65119628

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 65112118) is N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCC(O)(CC)CNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is PUICLYZEKRJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-12(17,5-2)8-13-10(15)6-14-9(3)7-18-11(14)16/h7,17H,4-6,8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 65112118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).