2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one

C14H14N2O2S — CID 3857419

IUPAC2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2Cc2ccncc2)o1
InChIInChI=1S/C14H14N2O2S/c1-10-2-3-12(18-10)14-16(13(17)9-19-14)8-11-4-6-15-7-5-11/h2-7,14H,8-9H2,1H3
InChIKeyMLWXJGYALSJQMV-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.76
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one

2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3857419) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3857419
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2Cc2ccncc2)o1
InChIInChI=1S/C14H14N2O2S/c1-10-2-3-12(18-10)14-16(13(17)9-19-14)8-11-4-6-15-7-5-11/h2-7,14H,8-9H2,1H3
InChIKeyMLWXJGYALSJQMV-UHFFFAOYSA-N
XLogP2.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (CID 3857419) is 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2Cc2ccncc2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is MLWXJGYALSJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-2-3-12(18-10)14-16(13(17)9-19-14)8-11-4-6-15-7-5-11/h2-7,14H,8-9H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 274.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3857419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).