4-propyl-1,3-thiazolidine-2,5-dione

C6H9NO2S — CID 20513641

IUPAC4-propyl-1,3-thiazolidine-2,5-dione
SMILESCCCC1NC(=O)SC1=O
InChIInChI=1S/C6H9NO2S/c1-2-3-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyHITOHLNHKMZLCV-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.14
Rot. Bonds2

About 4-propyl-1,3-thiazolidine-2,5-dione

4-propyl-1,3-thiazolidine-2,5-dione (PubChem CID 20513641) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-propyl-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-propyl-1,3-thiazolidine-2,5-dione
PubChem CID20513641
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name4-propyl-1,3-thiazolidine-2,5-dione
SMILESCCCC1NC(=O)SC1=O
InChIInChI=1S/C6H9NO2S/c1-2-3-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyHITOHLNHKMZLCV-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.14
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

5-imino-4-propyl-1,3-thiazolidin-2-one
CID 121227390
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
CID 68809970
5-propylimidazolidine-2,4-dione
CID 567619
2-methylidene-3-propylaziridine
CID 149135851
(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
CID 129415860
4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
CID 130006716
(3S,6S)-6-methyl-3-propylpiperazin-2-one
CID 91195931
(4S)-4-propylazetidin-2-one
CID 18603540
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
4,5-dipropylcyclopentane-1,2,3-trione
CID 89372645
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
CID 43630187

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-propyl-1,3-thiazolidine-2,5-dione (CID 20513641) is 4-propyl-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-propyl-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-propyl-1,3-thiazolidine-2,5-dione is CCCC1NC(=O)SC1=O.
What is the InChIKey of 4-propyl-1,3-thiazolidine-2,5-dione?
The InChIKey is HITOHLNHKMZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-3-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of 4-propyl-1,3-thiazolidine-2,5-dione?
4-propyl-1,3-thiazolidine-2,5-dione has a molecular weight of 159.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 20513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).