(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid

C13H12N2O3S — CID 91623324

IUPAC(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccc3cccc(O)c3n2)N1
InChIInChI=1S/C13H12N2O3S/c16-10-3-1-2-7-4-5-8(14-11(7)10)12-15-9(6-19-12)13(17)18/h1-5,9,12,15-16H,6H2,(H,17,18)/t9-,12?/m1/s1
InChIKeyDQJDKALOHCUZAP-PKEIRNPWSA-N
MW276.32 g/mol
LogP1.73
Rot. Bonds2

About (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 91623324) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID91623324
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccc3cccc(O)c3n2)N1
InChIInChI=1S/C13H12N2O3S/c16-10-3-1-2-7-4-5-8(14-11(7)10)12-15-9(6-19-12)13(17)18/h1-5,9,12,15-16H,6H2,(H,17,18)/t9-,12?/m1/s1
InChIKeyDQJDKALOHCUZAP-PKEIRNPWSA-N
XLogP1.73
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 91623324) is (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(c2ccc3cccc(O)c3n2)N1.
What is the InChIKey of (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DQJDKALOHCUZAP-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-10-3-1-2-7-4-5-8(14-11(7)10)12-15-9(6-19-12)13(17)18/h1-5,9,12,15-16H,6H2,(H,17,18)/t9-,12?/m1/s1.
What are the key properties of (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 91623324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).