1,3-thiazolidine-2,4-dicarboxylic acid;hydrate

C5H9NO5S — CID 22302524

IUPAC1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
SMILESO.O=C(O)C1CSC(C(=O)O)N1
InChIInChI=1S/C5H7NO4S.H2O/c7-4(8)2-1-11-3(6-2)5(9)10;/h2-3,6H,1H2,(H,7,8)(H,9,10);1H2
InChIKeyFGQGIULHTAHHEZ-UHFFFAOYSA-N
MW195.20 g/mol
LogP-1.64
Rot. Bonds2

About 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate

1,3-thiazolidine-2,4-dicarboxylic acid;hydrate (PubChem CID 22302524) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate.

Molecular Properties

Compound Name1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
PubChem CID22302524
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
SMILESO.O=C(O)C1CSC(C(=O)O)N1
InChIInChI=1S/C5H7NO4S.H2O/c7-4(8)2-1-11-3(6-2)5(9)10;/h2-3,6H,1H2,(H,7,8)(H,9,10);1H2
InChIKeyFGQGIULHTAHHEZ-UHFFFAOYSA-N
XLogP-1.64
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 70149669
2-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 154362128
(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
CID 121230879
2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 22843758
2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 57312911
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 54758943
2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
CID 14535489
2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 2732227
(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 710168
(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid
CID 107774073
2-acetyl-1,3-thiazolidine-4-carboxylic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70384271

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate?
The IUPAC name of 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate (CID 22302524) is 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate.
What is the SMILES notation for 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate?
The canonical SMILES for 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate is O.O=C(O)C1CSC(C(=O)O)N1.
What is the InChIKey of 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate?
The InChIKey is FGQGIULHTAHHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4S.H2O/c7-4(8)2-1-11-3(6-2)5(9)10;/h2-3,6H,1H2,(H,7,8)(H,9,10);1H2.
What are the key properties of 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate?
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate has a molecular weight of 195.20 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate is sourced from PubChem (CID 22302524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).