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

C16H15FN2S2 — CID 22473916

IUPAC3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2cc3ccc(F)cc3s2)N2CCN=C2S1
InChIInChI=1S/C16H15FN2S2/c1-2-3-12-15(19-7-6-18-16(19)21-12)14-8-10-4-5-11(17)9-13(10)20-14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyRABUFCXHKZYPOR-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.93
Rot. Bonds3

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

3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473916) has the molecular formula C16H15FN2S2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473916
Molecular FormulaC16H15FN2S2
Molecular Weight318.44 g/mol
Exact Mass318.07
IUPAC Name3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2cc3ccc(F)cc3s2)N2CCN=C2S1
InChIInChI=1S/C16H15FN2S2/c1-2-3-12-15(19-7-6-18-16(19)21-12)14-8-10-4-5-11(17)9-13(10)20-14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyRABUFCXHKZYPOR-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-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473916) is 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCC1=C(c2cc3ccc(F)cc3s2)N2CCN=C2S1.
What is the InChIKey of 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is RABUFCXHKZYPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S2/c1-2-3-12-15(19-7-6-18-16(19)21-12)14-8-10-4-5-11(17)9-13(10)20-14/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 3-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(6-fluoro-1-benzothiophen-2-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-(6-fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).