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

C11H18N2O3S — CID 65114801

IUPACN-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H18N2O3S/c1-4-11(3,16)7-12-9(14)5-13-8(2)6-17-10(13)15/h6,16H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyALQZRJDJVASEJV-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.50
Rot. Bonds5

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

N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 65114801) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID65114801
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H18N2O3S/c1-4-11(3,16)7-12-9(14)5-13-8(2)6-17-10(13)15/h6,16H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyALQZRJDJVASEJV-UHFFFAOYSA-N
XLogP0.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 65114801) is N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCC(C)(O)CNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ALQZRJDJVASEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-11(3,16)7-12-9(14)5-13-8(2)6-17-10(13)15/h6,16H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 258.34 g/mol, XLogP of 0.50, 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-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 65114801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).