4-cyano-1,3-thiazolidine-3-carboxylic acid

C5H6N2O2S — CID 53441205

IUPAC4-cyano-1,3-thiazolidine-3-carboxylic acid
SMILESN#CC1CSCN1C(=O)O
InChIInChI=1S/C5H6N2O2S/c6-1-4-2-10-3-7(4)5(8)9/h4H,2-3H2,(H,8,9)
InChIKeyASHNEMDHJYULDO-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.56
Rot. Bonds

About 4-cyano-1,3-thiazolidine-3-carboxylic acid

4-cyano-1,3-thiazolidine-3-carboxylic acid (PubChem CID 53441205) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-cyano-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyano-1,3-thiazolidine-3-carboxylic acid
PubChem CID53441205
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name4-cyano-1,3-thiazolidine-3-carboxylic acid
SMILESN#CC1CSCN1C(=O)O
InChIInChI=1S/C5H6N2O2S/c6-1-4-2-10-3-7(4)5(8)9/h4H,2-3H2,(H,8,9)
InChIKeyASHNEMDHJYULDO-UHFFFAOYSA-N
XLogP0.56
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 4-cyano-1,3-thiazolidine-3-carboxylic acid (CID 53441205) is 4-cyano-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 4-cyano-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 4-cyano-1,3-thiazolidine-3-carboxylic acid is N#CC1CSCN1C(=O)O.
What is the InChIKey of 4-cyano-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is ASHNEMDHJYULDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-1-4-2-10-3-7(4)5(8)9/h4H,2-3H2,(H,8,9).
What are the key properties of 4-cyano-1,3-thiazolidine-3-carboxylic acid?
4-cyano-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 53441205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).