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

C9H11NO3S — CID 93020096

IUPAC(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid
SMILESCc1ccc([C@@H]2CS[C@H](C(=O)O)N2)o1
InChIInChI=1S/C9H11NO3S/c1-5-2-3-7(13-5)6-4-14-8(10-6)9(11)12/h2-3,6,8,10H,4H2,1H3,(H,11,12)/t6-,8+/m0/s1
InChIKeyLHYLBROCRARYLI-POYBYMJQSA-N
MW213.26 g/mol
LogP1.38
Rot. Bonds2

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

(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid (PubChem CID 93020096) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid
PubChem CID93020096
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid
SMILESCc1ccc([C@@H]2CS[C@H](C(=O)O)N2)o1
InChIInChI=1S/C9H11NO3S/c1-5-2-3-7(13-5)6-4-14-8(10-6)9(11)12/h2-3,6,8,10H,4H2,1H3,(H,11,12)/t6-,8+/m0/s1
InChIKeyLHYLBROCRARYLI-POYBYMJQSA-N
XLogP1.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid (CID 93020096) is (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid is Cc1ccc([C@@H]2CS[C@H](C(=O)O)N2)o1.
What is the InChIKey of (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is LHYLBROCRARYLI-POYBYMJQSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5-2-3-7(13-5)6-4-14-8(10-6)9(11)12/h2-3,6,8,10H,4H2,1H3,(H,11,12)/t6-,8+/m0/s1.
What are the key properties of (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid?
(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 93020096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).