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

C10H11NO4S — CID 24711279

IUPAC3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccoc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H11NO4S/c1-6-2-3-15-8(6)9(12)11-5-16-4-7(11)10(13)14/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyWJCPVGFOEOGBCC-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.19
Rot. Bonds2

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

3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24711279) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24711279
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccoc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H11NO4S/c1-6-2-3-15-8(6)9(12)11-5-16-4-7(11)10(13)14/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyWJCPVGFOEOGBCC-UHFFFAOYSA-N
XLogP1.19
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151938
(3S)-2-(3-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 30057606
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
3-(2,6-difluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82814856
3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172110
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55237071
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 24711279) is 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1ccoc1C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WJCPVGFOEOGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-6-2-3-15-8(6)9(12)11-5-16-4-7(11)10(13)14/h2-3,7H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24711279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).