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

C13H11ClN2S2 — CID 45257242

IUPAC6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESC1=CN2CC(c3csc4ccccc34)N=C2S1.Cl
InChIInChI=1S/C13H10N2S2.ClH/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;1H
InChIKeyFLHXMEZTYGDPGV-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.25
Rot. Bonds1

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

6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 45257242) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID45257242
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESC1=CN2CC(c3csc4ccccc34)N=C2S1.Cl
InChIInChI=1S/C13H10N2S2.ClH/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;1H
InChIKeyFLHXMEZTYGDPGV-UHFFFAOYSA-N
XLogP4.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.25
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;hydrochloride?
The IUPAC name of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 45257242) is 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is C1=CN2CC(c3csc4ccccc34)N=C2S1.Cl.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is FLHXMEZTYGDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2.ClH/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;1H.
What are the key properties of 6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
6-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 4.25, 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;hydrochloride is sourced from PubChem (CID 45257242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).