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

C10H13NO3S — CID 107773986

IUPAC(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(C2N[C@@H](C(=O)O)CS2)o1
InChIInChI=1S/C10H13NO3S/c1-2-6-3-4-8(14-6)9-11-7(5-15-9)10(12)13/h3-4,7,9,11H,2,5H2,1H3,(H,12,13)/t7-,9?/m1/s1
InChIKeyLRORRNOBOVTLFZ-YOXFSPIKSA-N
MW227.28 g/mol
LogP1.63
Rot. Bonds3

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

(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107773986) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107773986
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(C2N[C@@H](C(=O)O)CS2)o1
InChIInChI=1S/C10H13NO3S/c1-2-6-3-4-8(14-6)9-11-7(5-15-9)10(12)13/h3-4,7,9,11H,2,5H2,1H3,(H,12,13)/t7-,9?/m1/s1
InChIKeyLRORRNOBOVTLFZ-YOXFSPIKSA-N
XLogP1.63
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 24700314
2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 19615268
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
5-ethylfuran-2-carbaldehyde;ethyl 2-[5-(hydroxymethyl)furan-2-yl]-1,3-thiazolidine-4-carboxylate;5-(hydroxymethyl)furan-2-carbaldehyde;5-methylfuran-2-carbaldehyde
CID 159832049
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270578
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate
CID 139413519
2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806943
2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid
CID 79367749
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(2R,4R)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 96835758
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 107773986) is (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid is CCc1ccc(C2N[C@@H](C(=O)O)CS2)o1.
What is the InChIKey of (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LRORRNOBOVTLFZ-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-6-3-4-8(14-6)9-11-7(5-15-9)10(12)13/h3-4,7,9,11H,2,5H2,1H3,(H,12,13)/t7-,9?/m1/s1.
What are the key properties of (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107773986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).