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

C6H11NO2S — CID 84764416

IUPAC3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one
SMILESCCN1C(=O)SCC1CO
InChIInChI=1S/C6H11NO2S/c1-2-7-5(3-8)4-10-6(7)9/h5,8H,2-4H2,1H3
InChIKeyRXSAWHAYFUGTBC-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.54
Rot. Bonds2

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

3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one (PubChem CID 84764416) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one
PubChem CID84764416
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one
SMILESCCN1C(=O)SCC1CO
InChIInChI=1S/C6H11NO2S/c1-2-7-5(3-8)4-10-6(7)9/h5,8H,2-4H2,1H3
InChIKeyRXSAWHAYFUGTBC-UHFFFAOYSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.54
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

(3-Methyl-1,3-thiazolidin-4-yl)methanol
CID 13419603
4(R)-hydroxymethyl-3-methyl-1,3-thiazolidine
CID 13419604
[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol
CID 15052250
(3,3-Dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol
CID 19799085
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
CID 20648621
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
(2,2,3-Trimethyl-1,3-thiazolidin-4-yl)methanol
CID 20699078
Carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium
CID 59870089
2-Tert-butyl-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylic acid
CID 118192998
(2R)-2-tert-butyl-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylic acid
CID 118193001
3-[(2S)-1-hydroxypropan-2-yl]-1,3-thiazolidin-2-one
CID 140984584
3-(1-Hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
CID 141150519

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one (CID 84764416) is 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one is CCN1C(=O)SCC1CO.
What is the InChIKey of 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one?
The InChIKey is RXSAWHAYFUGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-7-5(3-8)4-10-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one?
3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 84764416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).