N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C12H20N2O3S — CID 55082208

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

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 55082208) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID55082208
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-4-12(5-2,8-15)13-10(16)6-14-9(3)7-18-11(14)17/h7,15H,4-6,8H2,1-3H3,(H,13,16)
InChIKeyRJSIYVNQQLQQTG-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

Analyze N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 55082208) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCC(CC)(CO)NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is RJSIYVNQQLQQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-12(5-2,8-15)13-10(16)6-14-9(3)7-18-11(14)17/h7,15H,4-6,8H2,1-3H3,(H,13,16).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[3-(hydroxymethyl)pentan-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-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 55082208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).