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

C15H13FN2OS2 — CID 22473610

IUPAC2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESOCCC1=C(c2ccc(F)c3ccsc23)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS2/c16-11-2-1-10(14-9(11)4-8-20-14)13-12(3-7-19)21-15-17-5-6-18(13)15/h1-2,4,8,19H,3,5-7H2
InChIKeyYWRHSSVOZOGSEM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.51
Rot. Bonds3

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

2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22473610) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22473610
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESOCCC1=C(c2ccc(F)c3ccsc23)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS2/c16-11-2-1-10(14-9(11)4-8-20-14)13-12(3-7-19)21-15-17-5-6-18(13)15/h1-2,4,8,19H,3,5-7H2
InChIKeyYWRHSSVOZOGSEM-UHFFFAOYSA-N
XLogP3.51
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22473610) is 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is OCCC1=C(c2ccc(F)c3ccsc23)N2CCN=C2S1.
What is the InChIKey of 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is YWRHSSVOZOGSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c16-11-2-1-10(14-9(11)4-8-20-14)13-12(3-7-19)21-15-17-5-6-18(13)15/h1-2,4,8,19H,3,5-7H2.
What are the key properties of 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
2-[3-(4-fluoro-1-benzothiophen-7-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, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22473610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).