3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one

C19H16N2O2S — CID 155811332

IUPAC3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cc3ccccc3[nH]c2=O)N1Cc1ccccc1
InChIInChI=1S/C19H16N2O2S/c22-17-12-24-19(21(17)11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)20-18(15)23/h1-10,19H,11-12H2,(H,20,23)
InChIKeyIXAOSVVSHIVAJO-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.30
Rot. Bonds3

About 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one

3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one (PubChem CID 155811332) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one
PubChem CID155811332
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cc3ccccc3[nH]c2=O)N1Cc1ccccc1
InChIInChI=1S/C19H16N2O2S/c22-17-12-24-19(21(17)11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)20-18(15)23/h1-10,19H,11-12H2,(H,20,23)
InChIKeyIXAOSVVSHIVAJO-UHFFFAOYSA-N
XLogP3.30
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
3-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-thiazolidin-4-one
CID 87151004
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 982381
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3834473
3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 23733195
(2R)-3-benzyl-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964469
2-(2,6-difluorophenyl)-3-(naphthalen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 87150899
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one (CID 155811332) is 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2cc3ccccc3[nH]c2=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is IXAOSVVSHIVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-17-12-24-19(21(17)11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)20-18(15)23/h1-10,19H,11-12H2,(H,20,23).
What are the key properties of 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one?
3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155811332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).