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

C11H20N2O3S — CID 65112298

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C11H20N2O3S/c1-3-11(16,4-2)7-12-9(14)5-13-8-17-6-10(13)15/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyJSXWSVPFENYFNX-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.19
Rot. Bonds6

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

N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 65112298) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID65112298
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C11H20N2O3S/c1-3-11(16,4-2)7-12-9(14)5-13-8-17-6-10(13)15/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyJSXWSVPFENYFNX-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

N1-cyclopentyl-N2-(2-hydroxy-2-methyl-4-(methylthio)butyl)oxalamide
CID 71787370
N-methyl-2-(4-oxo-2-pentan-3-yl-1,3-thiazolidin-3-yl)acetamide
CID 3527737
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 62521013
N-[(1-hydroxycyclopentyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 64196688
N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide
CID 65106512
N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 65106779
N-(2-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65107502
N-(2-hydroxy-2-methylpropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 65110100
2-[(2-Ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone
CID 65111665
N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 65112075
N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 65113563
N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 65114030

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 65112298) is N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CCC(O)(CC)CNC(=O)CN1CSCC1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is JSXWSVPFENYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-11(16,4-2)7-12-9(14)5-13-8-17-6-10(13)15/h16H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2-ethyl-2-hydroxybutyl)-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-(2-ethyl-2-hydroxybutyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 65112298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).