2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C15H13FN2OS — CID 142130915

IUPAC2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCC1=C(c2cc(F)c3ccoc3c2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS/c1-2-13-14(18-5-4-17-15(18)20-13)9-7-11(16)10-3-6-19-12(10)8-9/h3,6-8H,2,4-5H2,1H3
InChIKeyJUZMEAVXTBBTTR-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.07
Rot. Bonds2

About 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 142130915) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID142130915
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCC1=C(c2cc(F)c3ccoc3c2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS/c1-2-13-14(18-5-4-17-15(18)20-13)9-7-11(16)10-3-6-19-12(10)8-9/h3,6-8H,2,4-5H2,1H3
InChIKeyJUZMEAVXTBBTTR-UHFFFAOYSA-N
XLogP4.07
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 142130915) is 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCC1=C(c2cc(F)c3ccoc3c2)N2CCN=C2S1.
What is the InChIKey of 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is JUZMEAVXTBBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-2-13-14(18-5-4-17-15(18)20-13)9-7-11(16)10-3-6-19-12(10)8-9/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 288.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142130915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).