2-acetyl-1,3-thiazolidine-3-carboxylic acid

C6H9NO3S — CID 57129596

IUPAC2-acetyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC(=O)C1SCCN1C(=O)O
InChIInChI=1S/C6H9NO3S/c1-4(8)5-7(6(9)10)2-3-11-5/h5H,2-3H2,1H3,(H,9,10)
InChIKeyKFZWNPFSQYDSTH-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.63
Rot. Bonds1

About 2-acetyl-1,3-thiazolidine-3-carboxylic acid

2-acetyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 57129596) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-acetyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID57129596
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-acetyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC(=O)C1SCCN1C(=O)O
InChIInChI=1S/C6H9NO3S/c1-4(8)5-7(6(9)10)2-3-11-5/h5H,2-3H2,1H3,(H,9,10)
InChIKeyKFZWNPFSQYDSTH-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 2-acetyl-1,3-thiazolidine-3-carboxylic acid (CID 57129596) is 2-acetyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 2-acetyl-1,3-thiazolidine-3-carboxylic acid is CC(=O)C1SCCN1C(=O)O.
What is the InChIKey of 2-acetyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is KFZWNPFSQYDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-4(8)5-7(6(9)10)2-3-11-5/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-acetyl-1,3-thiazolidine-3-carboxylic acid?
2-acetyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 175.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 57129596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).