ethane;1,3-thiazolidine-2-carboxylic acid

C6H13NO2S — CID 144912581

IUPACethane;1,3-thiazolidine-2-carboxylic acid
SMILESCC.O=C(O)C1NCCS1
InChIInChI=1S/C4H7NO2S.C2H6/c6-4(7)3-5-1-2-8-3;1-2/h3,5H,1-2H2,(H,6,7);1-2H3
InChIKeyLJOSHPLHQHTSCM-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.76
Rot. Bonds1

About ethane;1,3-thiazolidine-2-carboxylic acid

ethane;1,3-thiazolidine-2-carboxylic acid (PubChem CID 144912581) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is ethane;1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;1,3-thiazolidine-2-carboxylic acid
PubChem CID144912581
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Nameethane;1,3-thiazolidine-2-carboxylic acid
SMILESCC.O=C(O)C1NCCS1
InChIInChI=1S/C4H7NO2S.C2H6/c6-4(7)3-5-1-2-8-3;1-2/h3,5H,1-2H2,(H,6,7);1-2H3
InChIKeyLJOSHPLHQHTSCM-UHFFFAOYSA-N
XLogP0.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;1,3-thiazolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidine-2-carboxylic acid;1,3-thiazolidine-2-carboxylic acid
CID 67719115
bis(1,3-thiazolidin-2-yl)methanone;iron
CID 175441879
rubidium(1+);(2R)-1,3-thiazolidine-2-carboxylate
CID 59200106
carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
CID 71405468
phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
CID 138398651
ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
CID 55278769
(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
CID 20830000
carbamothioyl 1,3-thiazolidine-2-carboxylate
CID 154410190
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
CID 10125142
(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid
CID 10171360
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
CID 70296848

Frequently Asked Questions

What is the IUPAC name of ethane;1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of ethane;1,3-thiazolidine-2-carboxylic acid (CID 144912581) is ethane;1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for ethane;1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for ethane;1,3-thiazolidine-2-carboxylic acid is CC.O=C(O)C1NCCS1.
What is the InChIKey of ethane;1,3-thiazolidine-2-carboxylic acid?
The InChIKey is LJOSHPLHQHTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S.C2H6/c6-4(7)3-5-1-2-8-3;1-2/h3,5H,1-2H2,(H,6,7);1-2H3.
What are the key properties of ethane;1,3-thiazolidine-2-carboxylic acid?
ethane;1,3-thiazolidine-2-carboxylic acid has a molecular weight of 163.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 144912581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).