6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C13H10N2S2 — CID 45257243

IUPAC6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=CN2CC(c3csc4ccccc34)N=C2S1
InChIInChI=1S/C13H10N2S2/c1-2-4-12-9(3-1)10(8-17-12)11-7-15-5-6-16-13(15)14-11/h1-6,8,11H,7H2
InChIKeyJTWBLSOZFJKYEO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.83
Rot. Bonds1

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

6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 45257243) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID45257243
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=CN2CC(c3csc4ccccc34)N=C2S1
InChIInChI=1S/C13H10N2S2/c1-2-4-12-9(3-1)10(8-17-12)11-7-15-5-6-16-13(15)14-11/h1-6,8,11H,7H2
InChIKeyJTWBLSOZFJKYEO-UHFFFAOYSA-N
XLogP3.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 45257243) is 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is C1=CN2CC(c3csc4ccccc34)N=C2S1.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is JTWBLSOZFJKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-2-4-12-9(3-1)10(8-17-12)11-7-15-5-6-16-13(15)14-11/h1-6,8,11H,7H2.
What are the key properties of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 258.37 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 45257243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).