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

C14H12N2OS2 — CID 22473776

IUPAC[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESOCC1=C(c2cccc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C14H12N2OS2/c17-8-11-12(16-6-5-15-14(16)19-11)10-3-1-2-9-4-7-18-13(9)10/h1-4,7,17H,5-6,8H2
InChIKeyXXANWGFPJOBSCR-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.98
Rot. Bonds2

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

[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 22473776) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID22473776
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESOCC1=C(c2cccc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C14H12N2OS2/c17-8-11-12(16-6-5-15-14(16)19-11)10-3-1-2-9-4-7-18-13(9)10/h1-4,7,17H,5-6,8H2
InChIKeyXXANWGFPJOBSCR-UHFFFAOYSA-N
XLogP2.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 22473776) is [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is OCC1=C(c2cccc3ccsc23)N2CCN=C2S1.
What is the InChIKey of [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is XXANWGFPJOBSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c17-8-11-12(16-6-5-15-14(16)19-11)10-3-1-2-9-4-7-18-13(9)10/h1-4,7,17H,5-6,8H2.
What are the key properties of [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 288.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 22473776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).