3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H13NO4S — CID 24692471

IUPAC3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CSCC2C(=O)O)c(C)o1
InChIInChI=1S/C11H13NO4S/c1-6-3-8(7(2)16-6)10(13)12-5-17-4-9(12)11(14)15/h3,9H,4-5H2,1-2H3,(H,14,15)
InChIKeyQHBJLIQQQRSQQU-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.50
Rot. Bonds2

About 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24692471) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24692471
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CSCC2C(=O)O)c(C)o1
InChIInChI=1S/C11H13NO4S/c1-6-3-8(7(2)16-6)10(13)12-5-17-4-9(12)11(14)15/h3,9H,4-5H2,1-2H3,(H,14,15)
InChIKeyQHBJLIQQQRSQQU-UHFFFAOYSA-N
XLogP1.50
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 97468816
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
(4R)-3-(2,3,5-triiodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63404859
3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209975

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 24692471) is 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1cc(C(=O)N2CSCC2C(=O)O)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QHBJLIQQQRSQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-6-3-8(7(2)16-6)10(13)12-5-17-4-9(12)11(14)15/h3,9H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24692471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).