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

C16H15FN2OS — CID 142130964

IUPAC3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2cc(F)cc3occc23)N2CCN=C2S1
InChIInChI=1S/C16H15FN2OS/c1-2-3-14-15(19-6-5-18-16(19)21-14)12-8-10(17)9-13-11(12)4-7-20-13/h4,7-9H,2-3,5-6H2,1H3
InChIKeyPNKOHTVOWCJQCS-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.46
Rot. Bonds3

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

3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 142130964) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID142130964
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2cc(F)cc3occc23)N2CCN=C2S1
InChIInChI=1S/C16H15FN2OS/c1-2-3-14-15(19-6-5-18-16(19)21-14)12-8-10(17)9-13-11(12)4-7-20-13/h4,7-9H,2-3,5-6H2,1H3
InChIKeyPNKOHTVOWCJQCS-UHFFFAOYSA-N
XLogP4.46
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 142130964) is 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCC1=C(c2cc(F)cc3occc23)N2CCN=C2S1.
What is the InChIKey of 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is PNKOHTVOWCJQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-2-3-14-15(19-6-5-18-16(19)21-14)12-8-10(17)9-13-11(12)4-7-20-13/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 302.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-benzofuran-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142130964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).