2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one

C18H22N2O3S — CID 3487681

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESO=C1CCCN1CCCN1C(=O)CSC1c1ccc2c(c1)CCO2
InChIInChI=1S/C18H22N2O3S/c21-16-3-1-7-19(16)8-2-9-20-17(22)12-24-18(20)14-4-5-15-13(11-14)6-10-23-15/h4-5,11,18H,1-3,6-10,12H2
InChIKeyZWHGIZNMCZCETQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.21
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one

2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 3487681) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
PubChem CID3487681
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESO=C1CCCN1CCCN1C(=O)CSC1c1ccc2c(c1)CCO2
InChIInChI=1S/C18H22N2O3S/c21-16-3-1-7-19(16)8-2-9-20-17(22)12-24-18(20)14-4-5-15-13(11-14)6-10-23-15/h4-5,11,18H,1-3,6-10,12H2
InChIKeyZWHGIZNMCZCETQ-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one (CID 3487681) is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one is O=C1CCCN1CCCN1C(=O)CSC1c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The InChIKey is ZWHGIZNMCZCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-16-3-1-7-19(16)8-2-9-20-17(22)12-24-18(20)14-4-5-15-13(11-14)6-10-23-15/h4-5,11,18H,1-3,6-10,12H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 346.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3487681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).