2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide

C9H16N2O3S — CID 25116147

IUPAC2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide
SMILESCCCC1SC(=O)N(C(C)C(N)=O)C1O
InChIInChI=1S/C9H16N2O3S/c1-3-4-6-8(13)11(9(14)15-6)5(2)7(10)12/h5-6,8,13H,3-4H2,1-2H3,(H2,10,12)
InChIKeyINFGYMQDGLWFKC-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.52
Rot. Bonds4

About 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide

2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide (PubChem CID 25116147) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide
PubChem CID25116147
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide
SMILESCCCC1SC(=O)N(C(C)C(N)=O)C1O
InChIInChI=1S/C9H16N2O3S/c1-3-4-6-8(13)11(9(14)15-6)5(2)7(10)12/h5-6,8,13H,3-4H2,1-2H3,(H2,10,12)
InChIKeyINFGYMQDGLWFKC-UHFFFAOYSA-N
XLogP0.52
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.52
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 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide (CID 25116147) is 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide is CCCC1SC(=O)N(C(C)C(N)=O)C1O.
What is the InChIKey of 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is INFGYMQDGLWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-4-6-8(13)11(9(14)15-6)5(2)7(10)12/h5-6,8,13H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide?
2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 232.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 25116147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).