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

C10H17NO2S — CID 710168

IUPAC(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](C2CCCCC2)N1
InChIInChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyNGEBHQSOFHCRQW-RKDXNWHRSA-N
MW215.32 g/mol
LogP1.68
Rot. Bonds2

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

(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 710168) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID710168
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](C2CCCCC2)N1
InChIInChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyNGEBHQSOFHCRQW-RKDXNWHRSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 2732227
(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid
CID 107774073
(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 62386285
(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 107773752
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
CID 22302524
2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
CID 14535489
2-cyclopentyl-4-methyl-1,3-thiazolidine
CID 66220135
5-cyclopentylpyrrolidine-2-carboxylic acid
CID 55295140
2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
CID 104575610
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid (CID 710168) is (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CS[C@H](C2CCCCC2)N1.
What is the InChIKey of (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NGEBHQSOFHCRQW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 215.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 710168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).