2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate

C8H10NO4S- — CID 5046224

IUPAC2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate
SMILESCCCN1C(=O)SC(CC(=O)[O-])C1=O
InChIInChI=1S/C8H11NO4S/c1-2-3-9-7(12)5(4-6(10)11)14-8(9)13/h5H,2-4H2,1H3,(H,10,11)/p-1
InChIKeyFLOYFTUBCQWIAC-UHFFFAOYSA-M
MW216.24 g/mol
LogP-0.40
Rot. Bonds4

About 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate

2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate (PubChem CID 5046224) has the molecular formula C8H10NO4S- and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate.

Molecular Properties

Compound Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate
PubChem CID5046224
Molecular FormulaC8H10NO4S-
Molecular Weight216.24 g/mol
Exact Mass216.03
IUPAC Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate
SMILESCCCN1C(=O)SC(CC(=O)[O-])C1=O
InChIInChI=1S/C8H11NO4S/c1-2-3-9-7(12)5(4-6(10)11)14-8(9)13/h5H,2-4H2,1H3,(H,10,11)/p-1
InChIKeyFLOYFTUBCQWIAC-UHFFFAOYSA-M
XLogP-0.40
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate?
The IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate (CID 5046224) is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate.
What is the SMILES notation for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate?
The canonical SMILES for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate is CCCN1C(=O)SC(CC(=O)[O-])C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate?
The InChIKey is FLOYFTUBCQWIAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO4S/c1-2-3-9-7(12)5(4-6(10)11)14-8(9)13/h5H,2-4H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate?
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate has a molecular weight of 216.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetate is sourced from PubChem (CID 5046224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).