(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid

C7H13NO2S2 — CID 107774011

IUPAC(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSCCC1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S2/c1-11-3-2-6-8-5(4-12-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyHNYDDPYIPQVLDL-LWOQYNTDSA-N
MW207.32 g/mol
LogP0.86
Rot. Bonds4

About (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107774011) has the molecular formula C7H13NO2S2 and a molecular weight of 207.32 g/mol. Its IUPAC name is (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107774011
Molecular FormulaC7H13NO2S2
Molecular Weight207.32 g/mol
Exact Mass207.04
IUPAC Name(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSCCC1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S2/c1-11-3-2-6-8-5(4-12-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyHNYDDPYIPQVLDL-LWOQYNTDSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027
4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
CID 66217430
(2S,4R)-2-(2,2-dimethylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 93078392
(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774074
2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500452
2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
CID 68534955
2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500835
2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500725
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid (CID 107774011) is (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid is CSCCC1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HNYDDPYIPQVLDL-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H13NO2S2/c1-11-3-2-6-8-5(4-12-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6?/m1/s1.
What are the key properties of (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 207.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107774011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).