1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol

C11H11NO2S — CID 115467386

IUPAC1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol
SMILESCC(O)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C11H11NO2S/c1-6(13)11-12-10-7-4-5-14-8(7)2-3-9(10)15-11/h4-6,13H,2-3H2,1H3
InChIKeyLIBCXYPKFVUNQO-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.56
Rot. Bonds1

About 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol

1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol (PubChem CID 115467386) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol
PubChem CID115467386
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol
SMILESCC(O)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C11H11NO2S/c1-6(13)11-12-10-7-4-5-14-8(7)2-3-9(10)15-11/h4-6,13H,2-3H2,1H3
InChIKeyLIBCXYPKFVUNQO-UHFFFAOYSA-N
XLogP2.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol?
The IUPAC name of 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol (CID 115467386) is 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol.
What is the SMILES notation for 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol?
The canonical SMILES for 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol is CC(O)c1nc2c(s1)CCc1occc1-2.
What is the InChIKey of 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol?
The InChIKey is LIBCXYPKFVUNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-6(13)11-12-10-7-4-5-14-8(7)2-3-9(10)15-11/h4-6,13H,2-3H2,1H3.
What are the key properties of 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol?
1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol has a molecular weight of 221.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)ethanol is sourced from PubChem (CID 115467386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).