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

C11H20N2O3S — CID 79380615

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCN1CCSC1=O
InChIInChI=1S/C11H20N2O3S/c1-11(2,16)8-12(3)9(14)4-5-13-6-7-17-10(13)15/h16H,4-8H2,1-3H3
InChIKeyDWLBABWJYPMKEZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.77
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 79380615) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID79380615
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCN1CCSC1=O
InChIInChI=1S/C11H20N2O3S/c1-11(2,16)8-12(3)9(14)4-5-13-6-7-17-10(13)15/h16H,4-8H2,1-3H3
InChIKeyDWLBABWJYPMKEZ-UHFFFAOYSA-N
XLogP0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
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-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 79380615) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CN(CC(C)(C)O)C(=O)CCN1CCSC1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is DWLBABWJYPMKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2,16)8-12(3)9(14)4-5-13-6-7-17-10(13)15/h16H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 79380615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).