5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one

C11H9NO2S — CID 23144029

IUPAC5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C3=NCCS3)ccc21
InChIInChI=1S/C11H9NO2S/c13-11-9-2-1-7(5-8(9)6-14-11)10-12-3-4-15-10/h1-2,5H,3-4,6H2
InChIKeyONIOLLBBIBTHCB-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.85
Rot. Bonds1

About 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one

5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one (PubChem CID 23144029) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one
PubChem CID23144029
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C3=NCCS3)ccc21
InChIInChI=1S/C11H9NO2S/c13-11-9-2-1-7(5-8(9)6-14-11)10-12-3-4-15-10/h1-2,5H,3-4,6H2
InChIKeyONIOLLBBIBTHCB-UHFFFAOYSA-N
XLogP1.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one (CID 23144029) is 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one is O=C1OCc2cc(C3=NCCS3)ccc21.
What is the InChIKey of 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is ONIOLLBBIBTHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-11-9-2-1-7(5-8(9)6-14-11)10-12-3-4-15-10/h1-2,5H,3-4,6H2.
What are the key properties of 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one?
5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 219.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-thiazol-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 23144029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).