3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione

C13H10N2O2S — CID 174351895

IUPAC3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(c2cccc3ncccc23)C1=O
InChIInChI=1S/C13H10N2O2S/c1-15-12(16)11(18-13(15)17)9-4-2-6-10-8(9)5-3-7-14-10/h2-7,11H,1H3
InChIKeyLEOULTGUDGJEOK-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.60
Rot. Bonds1

About 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione

3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione (PubChem CID 174351895) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione
PubChem CID174351895
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(c2cccc3ncccc23)C1=O
InChIInChI=1S/C13H10N2O2S/c1-15-12(16)11(18-13(15)17)9-4-2-6-10-8(9)5-3-7-14-10/h2-7,11H,1H3
InChIKeyLEOULTGUDGJEOK-UHFFFAOYSA-N
XLogP2.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-quinolin-5-ylcyclohexan-1-one
CID 83261338
5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione
CID 151816538
2-quinolin-5-ylcyclopentan-1-one
CID 81223830
ethane;5-ethylquinoline
CID 143401043
5-(3-chlorocycloheptyl)quinoline
CID 81222338
4,4-difluoro-4-quinolin-5-ylbutan-2-one
CID 175262748
N-methyl-2-quinolin-5-ylcyclohexan-1-amine
CID 81224622
CID 158967293
CID 158967293
2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one
CID 155456104
5-(4-methylpiperazin-1-yl)sulfonylquinoline
CID 115599575
5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224318
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione (CID 174351895) is 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(c2cccc3ncccc23)C1=O.
What is the InChIKey of 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is LEOULTGUDGJEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-15-12(16)11(18-13(15)17)9-4-2-6-10-8(9)5-3-7-14-10/h2-7,11H,1H3.
What are the key properties of 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione?
3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 258.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-quinolin-5-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 174351895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).