2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C15H13FN2O2S — CID 142130975

IUPAC2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESOCCC1=C(c2cc(F)c3occc3c2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2O2S/c16-11-8-10(7-9-2-6-20-14(9)11)13-12(1-5-19)21-15-17-3-4-18(13)15/h2,6-8,19H,1,3-5H2
InChIKeyQWYOPOJBFPFFIE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.04
Rot. Bonds3

About 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 142130975) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID142130975
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESOCCC1=C(c2cc(F)c3occc3c2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2O2S/c16-11-8-10(7-9-2-6-20-14(9)11)13-12(1-5-19)21-15-17-3-4-18(13)15/h2,6-8,19H,1,3-5H2
InChIKeyQWYOPOJBFPFFIE-UHFFFAOYSA-N
XLogP3.04
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 142130975) is 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is OCCC1=C(c2cc(F)c3occc3c2)N2CCN=C2S1.
What is the InChIKey of 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is QWYOPOJBFPFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-11-8-10(7-9-2-6-20-14(9)11)13-12(1-5-19)21-15-17-3-4-18(13)15/h2,6-8,19H,1,3-5H2.
What are the key properties of 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 304.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-fluoro-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 142130975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).