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

C5H9NO2S — CID 57260668

IUPAC4-methyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC1CSCN1C(=O)O
InChIInChI=1S/C5H9NO2S/c1-4-2-9-3-6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKeyZIBRFHVULORGQG-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.06
Rot. Bonds

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

4-methyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 57260668) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-methyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID57260668
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name4-methyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC1CSCN1C(=O)O
InChIInChI=1S/C5H9NO2S/c1-4-2-9-3-6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKeyZIBRFHVULORGQG-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazolidine-3-carboxylic acid
CID 18358078
3,4-Dimethyl-1,3-thiazolidin-2-one
CID 57602820
4-Methyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 588886
2,2-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 17855237
2-Ethyl-1,3-thiazolidine-3-carboxylic acid
CID 21162291
5,5-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 23320581
4-Cyano-1,3-thiazolidine-3-carboxylic acid
CID 53441205
(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid
CID 56609437
4-Ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid
CID 57006328
4,4-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 57007173
(2R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid
CID 57285215
(4R)-3,4-dimethyl-1,3-thiazolidin-2-one
CID 57602823

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1,3-thiazolidine-3-carboxylic acid (CID 57260668) is 4-methyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1,3-thiazolidine-3-carboxylic acid is CC1CSCN1C(=O)O.
What is the InChIKey of 4-methyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is ZIBRFHVULORGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4-2-9-3-6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-methyl-1,3-thiazolidine-3-carboxylic acid?
4-methyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 147.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 57260668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).