3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one

C13H12N2O2S — CID 2999932

IUPAC3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccncc2)N1Cc1ccco1
InChIInChI=1S/C13H12N2O2S/c16-12-9-18-13(10-3-5-14-6-4-10)15(12)8-11-2-1-7-17-11/h1-7,13H,8-9H2
InChIKeyVKDSHINGPZODLR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.45
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one

3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one (PubChem CID 2999932) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
PubChem CID2999932
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccncc2)N1Cc1ccco1
InChIInChI=1S/C13H12N2O2S/c16-12-9-18-13(10-3-5-14-6-4-10)15(12)8-11-2-1-7-17-11/h1-7,13H,8-9H2
InChIKeyVKDSHINGPZODLR-UHFFFAOYSA-N
XLogP2.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Lafutidine
CID 5282136
1-Furfurylpyrrole
CID 15037
N-ethyl-5-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 6468617
2-((Furan-2-yl)methanesulfinyl)-N-(4-((4-((piperidin-1-yl)methyl)pyridin-2-yl)oxy)but-2-en-1-yl)acetamide
CID 3873
5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
3-(2-Furylmethyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1372564
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235407
2-(2-Oxopyrrolidin-1-yl)ethyl 2-[(1-{[(2-furylmethyl)amino]carbonyl}propyl)thio]nicotinate
CID 3243185
Ethyl 2-[(1-{[(furan-2-YL)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate
CID 3430352
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}furan-2-carboxamide
CID 5310118
N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
CID 5922856

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one (CID 2999932) is 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one is O=C1CSC(c2ccncc2)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The InChIKey is VKDSHINGPZODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12-9-18-13(10-3-5-14-6-4-10)15(12)8-11-2-1-7-17-11/h1-7,13H,8-9H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one has a molecular weight of 260.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).