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

C16H15FN2S2 — CID 22473635

IUPAC3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1
InChIInChI=1S/C16H15FN2S2/c1-2-3-13-14(19-8-7-18-16(19)21-13)10-4-5-12(17)15-11(10)6-9-20-15/h4-6,9H,2-3,7-8H2,1H3
InChIKeyXARKJMYFGXBITJ-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.93
Rot. Bonds3

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

3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473635) has the molecular formula C16H15FN2S2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473635
Molecular FormulaC16H15FN2S2
Molecular Weight318.44 g/mol
Exact Mass318.07
IUPAC Name3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1
InChIInChI=1S/C16H15FN2S2/c1-2-3-13-14(19-8-7-18-16(19)21-13)10-4-5-12(17)15-11(10)6-9-20-15/h4-6,9H,2-3,7-8H2,1H3
InChIKeyXARKJMYFGXBITJ-UHFFFAOYSA-N
XLogP4.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.93
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-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473635) is 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1.
What is the InChIKey of 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XARKJMYFGXBITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S2/c1-2-3-13-14(19-8-7-18-16(19)21-13)10-4-5-12(17)15-11(10)6-9-20-15/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 318.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzothiophen-4-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).