2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid

C10H13NO2S2 — CID 3441190

IUPAC2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(C2NC(C(=O)O)CS2)s1
InChIInChI=1S/C10H13NO2S2/c1-2-6-3-4-8(15-6)9-11-7(5-14-9)10(12)13/h3-4,7,9,11H,2,5H2,1H3,(H,12,13)
InChIKeyBFIUXTYFWMAWJJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.10
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid

2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3441190) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID3441190
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(C2NC(C(=O)O)CS2)s1
InChIInChI=1S/C10H13NO2S2/c1-2-6-3-4-8(15-6)9-11-7(5-14-9)10(12)13/h3-4,7,9,11H,2,5H2,1H3,(H,12,13)
InChIKeyBFIUXTYFWMAWJJ-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.10
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
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
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
(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
CID 686595
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 3441190) is 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid is CCc1ccc(C2NC(C(=O)O)CS2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BFIUXTYFWMAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-2-6-3-4-8(15-6)9-11-7(5-14-9)10(12)13/h3-4,7,9,11H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3441190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).