1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid

C8H12N2O3S — CID 79310155

IUPAC1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CSCN2)C1
InChIInChI=1S/C8H12N2O3S/c11-7(6-3-14-4-9-6)10-1-5(2-10)8(12)13/h5-6,9H,1-4H2,(H,12,13)
InChIKeyIVVJCUJHJFCJCN-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.81
Rot. Bonds2

About 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid

1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid (PubChem CID 79310155) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
PubChem CID79310155
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CSCN2)C1
InChIInChI=1S/C8H12N2O3S/c11-7(6-3-14-4-9-6)10-1-5(2-10)8(12)13/h5-6,9H,1-4H2,(H,12,13)
InChIKeyIVVJCUJHJFCJCN-UHFFFAOYSA-N
XLogP-0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-thiazolidine-4-carboxylic acid
CID 9934
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119318083
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119276152
4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride
CID 119267084
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119315086
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid (CID 79310155) is 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)C2CSCN2)C1.
What is the InChIKey of 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is IVVJCUJHJFCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c11-7(6-3-14-4-9-6)10-1-5(2-10)8(12)13/h5-6,9H,1-4H2,(H,12,13).
What are the key properties of 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid?
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 79310155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).