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

C11H20N2O3S — CID 62521013

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCC(CC)(CO)NC(=O)CN1CSCC1=O
InChIInChI=1S/C11H20N2O3S/c1-3-11(4-2,7-14)12-9(15)5-13-8-17-6-10(13)16/h14H,3-8H2,1-2H3,(H,12,15)
InChIKeyIYNWTAVSHJBPQY-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.19
Rot. Bonds6

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

N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 62521013) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID62521013
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCC(CC)(CO)NC(=O)CN1CSCC1=O
InChIInChI=1S/C11H20N2O3S/c1-3-11(4-2,7-14)12-9(15)5-13-8-17-6-10(13)16/h14H,3-8H2,1-2H3,(H,12,15)
InChIKeyIYNWTAVSHJBPQY-UHFFFAOYSA-N
XLogP0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[1-(Hydroxymethyl)cyclopentyl]amino]ethylamino]-1-(1,3-thiazolidin-3-yl)ethanone
CID 9863687
N-(1-hydroxybutan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418047
N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418994
N-(1-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43500028
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43500053
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43500509
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43500753
N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide
CID 54994379
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 55082208
N-[1-(hydroxymethyl)cyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55082313
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 61245903
4-Thiazolidinecarboxamide, N-[1-(hydroxymethyl)-3-methylbutyl]-2-oxo-
CID 61245936

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 62521013) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CCC(CC)(CO)NC(=O)CN1CSCC1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is IYNWTAVSHJBPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-11(4-2,7-14)12-9(15)5-13-8-17-6-10(13)16/h14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 62521013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).