3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide

C9H16N2O2S — CID 60682051

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O2S/c1-7(2)10-8(12)3-4-11-5-6-14-9(11)13/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyVKJZQRZZGKKDAR-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.07
Rot. Bonds4

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide (PubChem CID 60682051) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide
PubChem CID60682051
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O2S/c1-7(2)10-8(12)3-4-11-5-6-14-9(11)13/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyVKJZQRZZGKKDAR-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide (CID 60682051) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CCSC1=O.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
The InChIKey is VKJZQRZZGKKDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(2)10-8(12)3-4-11-5-6-14-9(11)13/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide has a molecular weight of 216.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 60682051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).