2-ethyl-1,3-thiazolidin-4-one

C5H9NOS — CID 14405097

IUPAC2-ethyl-1,3-thiazolidin-4-one
SMILESCCC1NC(=O)CS1
InChIInChI=1S/C5H9NOS/c1-2-5-6-4(7)3-8-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyDHBFPPCDJLUJPA-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.59
Rot. Bonds1

About 2-ethyl-1,3-thiazolidin-4-one

2-ethyl-1,3-thiazolidin-4-one (PubChem CID 14405097) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-1,3-thiazolidin-4-one
PubChem CID14405097
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2-ethyl-1,3-thiazolidin-4-one
SMILESCCC1NC(=O)CS1
InChIInChI=1S/C5H9NOS/c1-2-5-6-4(7)3-8-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyDHBFPPCDJLUJPA-UHFFFAOYSA-N
XLogP0.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-ethyl-1,3-thiazolidin-4-one (CID 14405097) is 2-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-ethyl-1,3-thiazolidin-4-one is CCC1NC(=O)CS1.
What is the InChIKey of 2-ethyl-1,3-thiazolidin-4-one?
The InChIKey is DHBFPPCDJLUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-5-6-4(7)3-8-5/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-ethyl-1,3-thiazolidin-4-one?
2-ethyl-1,3-thiazolidin-4-one has a molecular weight of 131.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 14405097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).