1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one

C15H13NO3S — CID 118260446

IUPAC1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccc2c(CC(=O)Cc3nccs3)coc2c1
InChIInChI=1S/C15H13NO3S/c1-18-12-2-3-13-10(9-19-14(13)8-12)6-11(17)7-15-16-4-5-20-15/h2-5,8-9H,6-7H2,1H3
InChIKeyNXDMFGAGQOFKJH-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.25
Rot. Bonds5

About 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one

1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 118260446) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID118260446
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccc2c(CC(=O)Cc3nccs3)coc2c1
InChIInChI=1S/C15H13NO3S/c1-18-12-2-3-13-10(9-19-14(13)8-12)6-11(17)7-15-16-4-5-20-15/h2-5,8-9H,6-7H2,1H3
InChIKeyNXDMFGAGQOFKJH-UHFFFAOYSA-N
XLogP3.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one (CID 118260446) is 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one is COc1ccc2c(CC(=O)Cc3nccs3)coc2c1.
What is the InChIKey of 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is NXDMFGAGQOFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-18-12-2-3-13-10(9-19-14(13)8-12)6-11(17)7-15-16-4-5-20-15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 287.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1-benzofuran-3-yl)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 118260446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).