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

C8H9NO2S2 — CID 686595

IUPAC(2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@@H](c2cccs2)N1
InChIInChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1
InChIKeyZUDFHYZUQCNUJF-FSPLSTOPSA-N
MW215.30 g/mol
LogP1.54
Rot. Bonds2

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

(2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 686595) has the molecular formula C8H9NO2S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID686595
Molecular FormulaC8H9NO2S2
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name(2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@@H](c2cccs2)N1
InChIInChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1
InChIKeyZUDFHYZUQCNUJF-FSPLSTOPSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thien-2-ylthiazolidine-4-carboxylic acid
CID 98151
N-[(thiophen-2-ylmethyl)carbamoyl]-L-alanine
CID 5389745
Thenoyl methionate
CID 40542948
2-(5-Nitro-2-thienyl)-1,3-thiazolane-4-carboxylic acid
CID 2731754
N-[(thiophen-2-ylmethyl)carbamoyl]-L-methionine
CID 664979
(4R)-3-[(2S)-2-methyl-3-sulfanylpropanoyl]-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 12915818
3-Acetyl-2-thiophen-2-yl-thiazolidine-4-carboxylic acid
CID 2731624
({[Cyclopentyl(thien-2-ylmethyl)amino]-carbonothioyl}amino)acetic acid
CID 773746
3-(Thiophen-2-ylmethylamino)propanoic acid
CID 3308288
2-((2-(Thiophen-2-yl)ethyl)amino)acetic acid hydrochloride
CID 50988795
rac-(2R,5R)-5-(thiophen-2-yl)pyrrolidine-2-carboxylic acid hydrochloride
CID 122155790
Methyl (thiophen-2-ylmethyl)glycinate
CID 11332886

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 686595) is (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@@H](c2cccs2)N1.
What is the InChIKey of (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZUDFHYZUQCNUJF-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1.
What are the key properties of (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
(2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 215.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 686595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).