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

C5H9NO2S — CID 20699547

IUPAC3-methyl-1,3-thiazolidine-2-carboxylic acid
SMILESCN1CCSC1C(=O)O
InChIInChI=1S/C5H9NO2S/c1-6-2-3-9-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKeyIBCYLEPMQYVMTA-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.08
Rot. Bonds1

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

3-methyl-1,3-thiazolidine-2-carboxylic acid (PubChem CID 20699547) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-methyl-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1,3-thiazolidine-2-carboxylic acid
PubChem CID20699547
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name3-methyl-1,3-thiazolidine-2-carboxylic acid
SMILESCN1CCSC1C(=O)O
InChIInChI=1S/C5H9NO2S/c1-6-2-3-9-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKeyIBCYLEPMQYVMTA-UHFFFAOYSA-N
XLogP0.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1,3-thiazolidine-2-carboxylic acid (CID 20699547) is 3-methyl-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1,3-thiazolidine-2-carboxylic acid is CN1CCSC1C(=O)O.
What is the InChIKey of 3-methyl-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is IBCYLEPMQYVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-2-3-9-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-methyl-1,3-thiazolidine-2-carboxylic acid?
3-methyl-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 147.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 20699547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).