3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C16H15FN2OS — CID 142130949

IUPAC3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1=C(c2ccc(F)c3occc23)N2CCN=C2S1
InChIInChI=1S/C16H15FN2OS/c1-9(2)15-13(19-7-6-18-16(19)21-15)10-3-4-12(17)14-11(10)5-8-20-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyUIWTXFFJUGJDMU-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.31
Rot. Bonds2

About 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 142130949) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID142130949
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1=C(c2ccc(F)c3occc23)N2CCN=C2S1
InChIInChI=1S/C16H15FN2OS/c1-9(2)15-13(19-7-6-18-16(19)21-15)10-3-4-12(17)14-11(10)5-8-20-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyUIWTXFFJUGJDMU-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-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 142130949) is 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC(C)C1=C(c2ccc(F)c3occc23)N2CCN=C2S1.
What is the InChIKey of 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is UIWTXFFJUGJDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9(2)15-13(19-7-6-18-16(19)21-15)10-3-4-12(17)14-11(10)5-8-20-14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 3-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(7-fluoro-1-benzofuran-4-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-(7-fluoro-1-benzofuran-4-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142130949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).