3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

C15H13NO3S — CID 63312771

IUPAC3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)c2coc3ccccc23)c1C
InChIInChI=1S/C15H13NO3S/c1-9-10(2)20-15(18)16(9)7-13(17)12-8-19-14-6-4-3-5-11(12)14/h3-6,8H,7H2,1-2H3
InChIKeyPJUAZWDIJRZEQG-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.16
Rot. Bonds3

About 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312771) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312771
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)c2coc3ccccc23)c1C
InChIInChI=1S/C15H13NO3S/c1-9-10(2)20-15(18)16(9)7-13(17)12-8-19-14-6-4-3-5-11(12)14/h3-6,8H,7H2,1-2H3
InChIKeyPJUAZWDIJRZEQG-UHFFFAOYSA-N
XLogP3.16
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312771) is 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)c2coc3ccccc23)c1C.
What is the InChIKey of 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is PJUAZWDIJRZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-9-10(2)20-15(18)16(9)7-13(17)12-8-19-14-6-4-3-5-11(12)14/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 287.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).