N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C11H20N2O3S — CID 65112075

IUPACN-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(C)(O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C11H20N2O3S/c1-3-11(2,16)8-12-9(14)4-5-13-6-7-17-10(13)15/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyQQFFCYUXMVZDAY-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.82
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 65112075) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID65112075
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(C)(O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C11H20N2O3S/c1-3-11(2,16)8-12-9(14)4-5-13-6-7-17-10(13)15/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyQQFFCYUXMVZDAY-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 65112075) is N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCC(C)(O)CNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is QQFFCYUXMVZDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-11(2,16)8-12-9(14)4-5-13-6-7-17-10(13)15/h16H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 65112075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).