6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one

C14H13NO3S — CID 60771964

IUPAC6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
SMILESCCc1nc(COc2ccc3c(c2)OCC3=O)cs1
InChIInChI=1S/C14H13NO3S/c1-2-14-15-9(8-19-14)6-17-10-3-4-11-12(16)7-18-13(11)5-10/h3-5,8H,2,6-7H2,1H3
InChIKeyFAJUDUINLAZCQF-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.86
Rot. Bonds4

About 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one

6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one (PubChem CID 60771964) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
PubChem CID60771964
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
SMILESCCc1nc(COc2ccc3c(c2)OCC3=O)cs1
InChIInChI=1S/C14H13NO3S/c1-2-14-15-9(8-19-14)6-17-10-3-4-11-12(16)7-18-13(11)5-10/h3-5,8H,2,6-7H2,1H3
InChIKeyFAJUDUINLAZCQF-UHFFFAOYSA-N
XLogP2.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
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[4-(1,3-benzodioxol-5-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62450878
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
6-(5-oxohexoxy)-1-benzofuran-3-one
CID 62033271
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716311
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
CID 63989056
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one (CID 60771964) is 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one is CCc1nc(COc2ccc3c(c2)OCC3=O)cs1.
What is the InChIKey of 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one?
The InChIKey is FAJUDUINLAZCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-2-14-15-9(8-19-14)6-17-10-3-4-11-12(16)7-18-13(11)5-10/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one?
6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one has a molecular weight of 275.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 60771964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).