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

C12H20N2O3S — CID 113356492

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-4-12(3,5-6-15)13-10(16)7-14-9(2)8-18-11(14)17/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyABNWHCKGRAVCFE-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds6

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

N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 113356492) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID113356492
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-4-12(3,5-6-15)13-10(16)7-14-9(2)8-18-11(14)17/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyABNWHCKGRAVCFE-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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 113356492) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCC(C)(CCO)NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ABNWHCKGRAVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-12(3,5-6-15)13-10(16)7-14-9(2)8-18-11(14)17/h8,15H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-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-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 113356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).