2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate

C8H9NO2S2 — CID 4283705

IUPAC2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(c2cccs2)[NH2+]1
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)
InChIKeyZUDFHYZUQCNUJF-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.82
Rot. Bonds2

About 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate

2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 4283705) has the molecular formula C8H9NO2S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID4283705
Molecular FormulaC8H9NO2S2
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(c2cccs2)[NH2+]1
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)
InChIKeyZUDFHYZUQCNUJF-UHFFFAOYSA-N
XLogP-0.82
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thien-2-ylthiazolidine-4-carboxylic acid
CID 98151
(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
(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
CID 686595
Methyl (thiophen-2-ylmethyl)glycinate
CID 11332886
Thenylalanine
CID 51690905
(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanoic acid
CID 152198782
Thiazolidine-5-carboxylic acid, 2-(2-thienyl)-
CID 542535
2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic Acid
CID 3441190

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate (CID 4283705) is 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate is O=C([O-])C1CSC(c2cccs2)[NH2+]1.
What is the InChIKey of 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate?
The InChIKey is ZUDFHYZUQCNUJF-UHFFFAOYSA-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).
What are the key properties of 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate?
2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 215.30 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 4283705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).