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

C16H15FN2OS — CID 142130914

IUPAC3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1=C(c2cc(F)c3ccoc3c2)N2CCN=C2S1
InChIInChI=1S/C16H15FN2OS/c1-9(2)15-14(19-5-4-18-16(19)21-15)10-7-12(17)11-3-6-20-13(11)8-10/h3,6-9H,4-5H2,1-2H3
InChIKeyBMVAAIOTGUQIHK-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.31
Rot. Bonds2

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

3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 142130914) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID142130914
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1=C(c2cc(F)c3ccoc3c2)N2CCN=C2S1
InChIInChI=1S/C16H15FN2OS/c1-9(2)15-14(19-5-4-18-16(19)21-15)10-7-12(17)11-3-6-20-13(11)8-10/h3,6-9H,4-5H2,1-2H3
InChIKeyBMVAAIOTGUQIHK-UHFFFAOYSA-N
XLogP4.31
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 142130914) is 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC(C)C1=C(c2cc(F)c3ccoc3c2)N2CCN=C2S1.
What is the InChIKey of 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is BMVAAIOTGUQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9(2)15-14(19-5-4-18-16(19)21-15)10-7-12(17)11-3-6-20-13(11)8-10/h3,6-9H,4-5H2,1-2H3.
What are the key properties of 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 302.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-benzofuran-6-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142130914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).