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

C14H11FN2OS2 — CID 22473865

IUPAC[3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESOCC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1
InChIInChI=1S/C14H11FN2OS2/c15-10-2-1-8(9-3-6-19-13(9)10)12-11(7-18)20-14-16-4-5-17(12)14/h1-3,6,18H,4-5,7H2
InChIKeyLEHAQTKLXXAIOP-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.12
Rot. Bonds2

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

[3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 22473865) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID22473865
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC Name[3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESOCC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1
InChIInChI=1S/C14H11FN2OS2/c15-10-2-1-8(9-3-6-19-13(9)10)12-11(7-18)20-14-16-4-5-17(12)14/h1-3,6,18H,4-5,7H2
InChIKeyLEHAQTKLXXAIOP-UHFFFAOYSA-N
XLogP3.12
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 22473865) is [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is OCC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1.
What is the InChIKey of [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is LEHAQTKLXXAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c15-10-2-1-8(9-3-6-19-13(9)10)12-11(7-18)20-14-16-4-5-17(12)14/h1-3,6,18H,4-5,7H2.
What are the key properties of [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 306.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 22473865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).