3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide

C9H16N2O2S — CID 60682333

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O2S/c1-2-4-10-8(12)3-5-11-6-7-14-9(11)13/h2-7H2,1H3,(H,10,12)
InChIKeyROQSUAHIYHJSAO-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.07
Rot. Bonds5

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

3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide (PubChem CID 60682333) 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-propylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
PubChem CID60682333
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O2S/c1-2-4-10-8(12)3-5-11-6-7-14-9(11)13/h2-7H2,1H3,(H,10,12)
InChIKeyROQSUAHIYHJSAO-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

methyl 6-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]hexanoate
CID 43408442
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113268449
2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid
CID 79468019
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
1-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449576
N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 43393224
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79027316
N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
CID 55659401
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182021
propan-2-yl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 112723017

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide (CID 60682333) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide is CCCNC(=O)CCN1CCSC1=O.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide?
The InChIKey is ROQSUAHIYHJSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-4-10-8(12)3-5-11-6-7-14-9(11)13/h2-7H2,1H3,(H,10,12).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide has a molecular weight of 216.31 g/mol, XLogP of 1.07, 5 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-propylpropanamide is sourced from PubChem (CID 60682333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).