(4S)-4-ethyl-1,3-thiazolidin-2-one

C5H9NOS — CID 58779137

IUPAC(4S)-4-ethyl-1,3-thiazolidin-2-one
SMILESCC[C@H]1CSC(=O)N1
InChIInChI=1S/C5H9NOS/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyIWSJKRWKKMCFHE-BYPYZUCNSA-N
MW131.20 g/mol
LogP1.22
Rot. Bonds1

About (4S)-4-ethyl-1,3-thiazolidin-2-one

(4S)-4-ethyl-1,3-thiazolidin-2-one (PubChem CID 58779137) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4S)-4-ethyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-1,3-thiazolidin-2-one
PubChem CID58779137
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4S)-4-ethyl-1,3-thiazolidin-2-one
SMILESCC[C@H]1CSC(=O)N1
InChIInChI=1S/C5H9NOS/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyIWSJKRWKKMCFHE-BYPYZUCNSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

S-Ethyl propylcarbamothioate
CID 181617
N-tetrahydrothiophen-3-ylacetamide
CID 504551
(4S)-4-methyl-1,3-thiazolidin-2-one
CID 18397191
4-Methyl-1,3-thiazolidin-2-one
CID 19362304
5-Methylthiazolidinone
CID 55295882
(4S)-4-propan-2-yl-1,3-thiazolidin-2-one
CID 130699200
Carbamothioic acid, ethyl-, S-propyl ester
CID 181615
4,5-Dimethyl-1,3-thiazolidine
CID 20348155
(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one
CID 134858137
4-(Sulfanylmethyl)-1,3-thiazolidin-2-one
CID 146168840
Carbamothioic acid, propyl-, S-propyl ester
CID 181618
S-butyl N-ethylcarbamothioate
CID 11651193

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-1,3-thiazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-1,3-thiazolidin-2-one (CID 58779137) is (4S)-4-ethyl-1,3-thiazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-1,3-thiazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-1,3-thiazolidin-2-one is CC[C@H]1CSC(=O)N1.
What is the InChIKey of (4S)-4-ethyl-1,3-thiazolidin-2-one?
The InChIKey is IWSJKRWKKMCFHE-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (4S)-4-ethyl-1,3-thiazolidin-2-one?
(4S)-4-ethyl-1,3-thiazolidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 58779137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).