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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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).