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

C15H14N2OS2 — CID 22474168

IUPAC2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESOCCC1=C(c2cccc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C15H14N2OS2/c18-8-4-12-13(17-7-6-16-15(17)20-12)11-3-1-2-10-5-9-19-14(10)11/h1-3,5,9,18H,4,6-8H2
InChIKeyAFODWYSPBSYAFO-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.37
Rot. Bonds3

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

2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22474168) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22474168
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESOCCC1=C(c2cccc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C15H14N2OS2/c18-8-4-12-13(17-7-6-16-15(17)20-12)11-3-1-2-10-5-9-19-14(10)11/h1-3,5,9,18H,4,6-8H2
InChIKeyAFODWYSPBSYAFO-UHFFFAOYSA-N
XLogP3.37
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22474168) is 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is OCCC1=C(c2cccc3ccsc23)N2CCN=C2S1.
What is the InChIKey of 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is AFODWYSPBSYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c18-8-4-12-13(17-7-6-16-15(17)20-12)11-3-1-2-10-5-9-19-14(10)11/h1-3,5,9,18H,4,6-8H2.
What are the key properties of 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 302.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22474168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).