2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one

C17H14N2O3S — CID 4987872

IUPAC2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cc3ccccc3o2)cn1
InChIInChI=1S/C17H14N2O3S/c1-21-15-7-6-12(9-18-15)19-16(20)10-23-17(19)14-8-11-4-2-3-5-13(11)22-14/h2-9,17H,10H2,1H3
InChIKeyVYMYGHQLZSWYQE-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.62
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one

2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 4987872) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID4987872
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cc3ccccc3o2)cn1
InChIInChI=1S/C17H14N2O3S/c1-21-15-7-6-12(9-18-15)19-16(20)10-23-17(19)14-8-11-4-2-3-5-13(11)22-14/h2-9,17H,10H2,1H3
InChIKeyVYMYGHQLZSWYQE-UHFFFAOYSA-N
XLogP3.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one (CID 4987872) is 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2cc3ccccc3o2)cn1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is VYMYGHQLZSWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-21-15-7-6-12(9-18-15)19-16(20)10-23-17(19)14-8-11-4-2-3-5-13(11)22-14/h2-9,17H,10H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one?
2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 326.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4987872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).