2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one

C12H11NO2S — CID 15987387

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C12H11NO2S/c14-12-4-6-16-13(12)8-9-1-2-11-10(7-9)3-5-15-11/h1-2,4,6-7H,3,5,8H2
InChIKeyNDRNHXZHRLRJEK-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one (PubChem CID 15987387) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one
PubChem CID15987387
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C12H11NO2S/c14-12-4-6-16-13(12)8-9-1-2-11-10(7-9)3-5-15-11/h1-2,4,6-7H,3,5,8H2
InChIKeyNDRNHXZHRLRJEK-UHFFFAOYSA-N
XLogP1.89
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 30738722
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
(3aR,7aR)-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9324129
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
4-(bromomethyl)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-one
CID 168505067
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 138988946
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501746
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one (CID 15987387) is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one is O=c1ccsn1Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one?
The InChIKey is NDRNHXZHRLRJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12-4-6-16-13(12)8-9-1-2-11-10(7-9)3-5-15-11/h1-2,4,6-7H,3,5,8H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one?
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one has a molecular weight of 233.29 g/mol, XLogP of 1.89, 2 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-ylmethyl)-1,2-thiazol-3-one is sourced from PubChem (CID 15987387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).