1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C15H13FN2OS2 — CID 22473931

IUPAC1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCC(O)C1=C(c2cc3cccc(F)c3s2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS2/c1-8(19)13-12(18-6-5-17-15(18)21-13)11-7-9-3-2-4-10(16)14(9)20-11/h2-4,7-8,19H,5-6H2,1H3
InChIKeyAUIPNQSDELHLRJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.51
Rot. Bonds2

About 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22473931) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22473931
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCC(O)C1=C(c2cc3cccc(F)c3s2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS2/c1-8(19)13-12(18-6-5-17-15(18)21-13)11-7-9-3-2-4-10(16)14(9)20-11/h2-4,7-8,19H,5-6H2,1H3
InChIKeyAUIPNQSDELHLRJ-UHFFFAOYSA-N
XLogP3.51
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol with MolForge

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Related Compounds

3-(4-Fluoro-1-benzothiophen-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9817477
3-(5-Fluoro-1-benzothiophen-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9882469
3-(1-Benzothiophen-3-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9795895
[3-(1-Benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 9817417
3-(1-Benzothiophen-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9860306
3-(4-Fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9879813
2-Ethenyl-3-(5-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473609
2-[3-(4-Fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473610
2-[3-(4-Fluoro-1-benzothiophen-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473620
3-(4-Fluoro-1-benzothiophen-2-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473639
2-Cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473647
3-(6-Fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473660

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22473931) is 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is CC(O)C1=C(c2cc3cccc(F)c3s2)N2CCN=C2S1.
What is the InChIKey of 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is AUIPNQSDELHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c1-8(19)13-12(18-6-5-17-15(18)21-13)11-7-9-3-2-4-10(16)14(9)20-11/h2-4,7-8,19H,5-6H2,1H3.
What are the key properties of 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 320.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22473931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).