3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

C8H12N2O2S — CID 128848247

IUPAC3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCC1
InChIInChI=1S/C8H12N2O2S/c11-7(9-2-1-3-9)4-10-6-13-5-8(10)12/h1-6H2
InChIKeyUVBSAFABUNYYSN-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.25
Rot. Bonds2

About 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 128848247) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID128848247
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCC1
InChIInChI=1S/C8H12N2O2S/c11-7(9-2-1-3-9)4-10-6-13-5-8(10)12/h1-6H2
InChIKeyUVBSAFABUNYYSN-UHFFFAOYSA-N
XLogP-0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56802451
2-[acetyl-[(4S)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129332794
methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
CID 78919114
8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809743
3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 56797721
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 75405301
3-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 55414455
3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63870414
3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 51306315
3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95281683
3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9225895

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 128848247) is 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is O=C(CN1CSCC1=O)N1CCC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is UVBSAFABUNYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7(9-2-1-3-9)4-10-6-13-5-8(10)12/h1-6H2.
What are the key properties of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 200.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 128848247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).